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;prop-2-enoyl chloride

C96H93ClF3N15O13 — CID 157076642

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;prop-2-enoyl chloride

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;prop-2-enoyl chloride (PubChem CID 157076642) has the molecular formula C96H93ClF3N15O13 and a molecular weight of 1757.34 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;prop-2-enoyl chloride.

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;prop-2-enoyl chloride
• PubChem CID: 157076642
• Molecular Formula: C96H93ClF3N15O13
• Molecular Weight: 1757.34 g/mol
• Exact Mass: 1755.67
• 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;prop-2-enoyl chloride
• 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.C=CC(=O)Cl
• InChI: InChI=1S/3C31H30FN5O4.C3H3ClO/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;1-2-3(4)5/h3*4-14,19,33H,1,15-18H2,2-3H3,(H,34,39);2H,1H2/t2*19-;;/m10../s1
• InChIKey: ADAWGOPBLCEAMD-DZXWATMVSA-N
• XLogP: 15.09
• TPSA: 345.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.34
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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;prop-2-enoyl chloride?

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;prop-2-enoyl chloride (CID 157076642) 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;prop-2-enoyl chloride.

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;prop-2-enoyl chloride?

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;prop-2-enoyl chloride 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.C=CC(=O)Cl.

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;prop-2-enoyl chloride?

The InChIKey is ADAWGOPBLCEAMD-DZXWATMVSA-N. The full InChI is InChI=1S/3C31H30FN5O4.C3H3ClO/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;1-2-3(4)5/h3*4-14,19,33H,1,15-18H2,2-3H3,(H,34,39);2H,1H2/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;prop-2-enoyl chloride?

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;prop-2-enoyl chloride has a molecular weight of 1757.34 g/mol, XLogP of 15.09, 28 rotatable bonds, 6 hydrogen bond donors, and 19 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;prop-2-enoyl chloride is sourced from PubChem (CID 157076642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).