4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one

C27H27ClF2N4O2 — CID 168934788

IUPAC4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccc(CCC2CNC(=O)C2)cc1Cl
InChIInChI=1S/C27H27ClF2N4O2/c1-15-25-22(26(33(2)32-25)18-11-19(29)13-20(30)12-18)7-8-34(15)27(36)21-6-5-16(9-23(21)28)3-4-17-10-24(35)31-14-17/h5-6,9,11-13,15,17H,3-4,7-8,10,14H2,1-2H3,(H,31,35)
InChIKeyLPSUZKVZKQJEMP-UHFFFAOYSA-N
MW512.99 g/mol
LogP4.85
Rot. Bonds5

About 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one

4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one (PubChem CID 168934788) has the molecular formula C27H27ClF2N4O2 and a molecular weight of 512.99 g/mol. Its IUPAC name is 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one
PubChem CID168934788
Molecular FormulaC27H27ClF2N4O2
Molecular Weight512.99 g/mol
Exact Mass512.18
IUPAC Name4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccc(CCC2CNC(=O)C2)cc1Cl
InChIInChI=1S/C27H27ClF2N4O2/c1-15-25-22(26(33(2)32-25)18-11-19(29)13-20(30)12-18)7-8-34(15)27(36)21-6-5-16(9-23(21)28)3-4-17-10-24(35)31-14-17/h5-6,9,11-13,15,17H,3-4,7-8,10,14H2,1-2H3,(H,31,35)
InChIKeyLPSUZKVZKQJEMP-UHFFFAOYSA-N
XLogP4.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.99
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
US9598423, Example 108
CID 118071186
N-[4-[(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-propylamino]butyl]-4-phenylbenzamide
CID 52937777
N-{2-Chloro-5-[5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-benzyl}-benzamide
CID 24993462
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide
CID 118408899
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299858
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299902
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299956
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300064
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300071

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one (CID 168934788) is 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one is CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccc(CCC2CNC(=O)C2)cc1Cl.
What is the InChIKey of 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one?
The InChIKey is LPSUZKVZKQJEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF2N4O2/c1-15-25-22(26(33(2)32-25)18-11-19(29)13-20(30)12-18)7-8-34(15)27(36)21-6-5-16(9-23(21)28)3-4-17-10-24(35)31-14-17/h5-6,9,11-13,15,17H,3-4,7-8,10,14H2,1-2H3,(H,31,35).
What are the key properties of 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one?
4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one has a molecular weight of 512.99 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-4-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]phenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168934788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).