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Home > Pyridines > 1391732-80-1
1391732-80-1 | tert-Butyl 7-(2-hydroxyethyl)-2-(cyclopropylmethyl)-6,7-dihydro-2h-pyrazolo[4,3-c]pyridine-5(4h)-car
CAS No: 1391732-80-1 Catalog No: AG00HVF7 MDL No:MFCD23378368
Product Description
Catalog Number:
AG00HVF7
Chemical Name:
tert-Butyl 7-(2-hydroxyethyl)-2-(cyclopropylmethyl)-6,7-dihydro-2h-pyrazolo[4,3-c]pyridine-5(4h)-car
CAS Number:
1391732-80-1
Molecular Formula:
C17H27N3O3
Molecular Weight:
321.4146
MDL Number:
MFCD23378368
IUPAC Name:
tert-butyl 2-(cyclopropylmethyl)-7-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C17H27N3O3/c1-17(2,3)23-16(22)19-9-13(6-7-21)15-14(10-19)11-20(18-15)8-12-4-5-12/h11-13,21H,4-10H2,1-3H3
InChI Key:
KMWMYHBQYCFGOC-UHFFFAOYSA-N
SMILES:
OCCC1CN(Cc2c1nn(c2)CC1CC1)C(=O)OC(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.421g/mol
Monoisotopic Mass:
321.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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