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Home > Pyridines > 1373028-05-7
1373028-05-7 | tert-Butyl 2-(cyclopentylmethyl)-7-(hydroxymethyl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-c
CAS No: 1373028-05-7 Catalog No: AG00HUTU MDL No:MFCD22209833
Product Description
Catalog Number:
AG00HUTU
Chemical Name:
tert-Butyl 2-(cyclopentylmethyl)-7-(hydroxymethyl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-c
CAS Number:
1373028-05-7
Molecular Formula:
C18H29N3O3
Molecular Weight:
335.4412
MDL Number:
MFCD22209833
IUPAC Name:
tert-butyl 2-(cyclopentylmethyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C18H29N3O3/c1-18(2,3)24-17(23)20-9-14-11-21(8-13-6-4-5-7-13)19-16(14)15(10-20)12-22/h11,13,15,22H,4-10,12H2,1-3H3
InChI Key:
QFFQMDLHBPKFMK-UHFFFAOYSA-N
SMILES:
OCC1CN(Cc2c1nn(c2)CC1CCCC1)C(=O)OC(C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.448g/mol
Monoisotopic Mass:
335.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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