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476474-11-0 | 7-Quinolinol, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-
CAS No: 476474-11-0 Catalog No: AG00DJDK MDL No:MFCD12923353
Product Description
Catalog Number:
AG00DJDK
Chemical Name:
7-Quinolinol, 4-[5,6-dihydro-2-(2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-
CAS Number:
476474-11-0
Molecular Formula:
C20H16N4O
Molecular Weight:
328.3672
MDL Number:
MFCD12923353
IUPAC Name:
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
InChI:
InChI=1S/C20H16N4O/c25-13-6-7-14-15(8-10-22-17(14)12-13)19-18-5-3-11-24(18)23-20(19)16-4-1-2-9-21-16/h1-2,4,6-10,12,25H,3,5,11H2
InChI Key:
ZDNICFYNWASODE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.375g/mol
Monoisotopic Mass:
328.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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