1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C93H90F3N15O12 — CID 159306762

About 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 159306762) has the molecular formula C93H90F3N15O12 and a molecular weight of 1666.83 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 159306762
• Molecular Formula: C93H90F3N15O12
• Molecular Weight: 1666.83 g/mol
• Exact Mass: 1665.68
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1OC.C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@@H]3C)ccc1OC.C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)ccc1OC
• InChI: InChI=1S/3C31H30FN5O4/c3*1-4-24(38)15-21-14-23(11-12-27(21)41-3)34-30(39)28-25-18-36(31(40)26-6-5-13-33-26)16-19(2)29(25)37(35-28)17-20-7-9-22(32)10-8-20/h3*4-14,19,33H,1,15-18H2,2-3H3,(H,34,39)/t2*19-;/m10./s1
• InChIKey: LBZZOPBYBYJBLG-CSBSUJFHSA-N
• XLogP: 14.15
• TPSA: 327.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1666.83
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 159306762) is 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1OC.C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@@H]3C)ccc1OC.C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)ccc1OC.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is LBZZOPBYBYJBLG-CSBSUJFHSA-N. The full InChI is InChI=1S/3C31H30FN5O4/c3*1-4-24(38)15-21-14-23(11-12-27(21)41-3)34-30(39)28-25-18-36(31(40)26-6-5-13-33-26)16-19(2)29(25)37(35-28)17-20-7-9-22(32)10-8-20/h3*4-14,19,33H,1,15-18H2,2-3H3,(H,34,39)/t2*19-;/m10./s1.

What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1666.83 g/mol, XLogP of 14.15, 27 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7S)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 159306762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).