1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C65H64FN11O7 — CID 157133904

About 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 157133904) has the molecular formula C65H64FN11O7 and a molecular weight of 1130.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 157133904
• Molecular Formula: C65H64FN11O7
• Molecular Weight: 1130.29 g/mol
• Exact Mass: 1129.50
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: C=CC(=O)Nc1ccc2c(Cn3nc(C(=O)Nc4cccc(C)c4)c4c3C(C)CN(C(=O)c3ccc[nH]3)C4)cccc2c1.CCC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1OC
• InChI: InChI=1S/C34H32N6O3.C31H32FN5O4/c1-4-30(41)36-26-13-14-27-23(17-26)9-6-10-24(27)19-40-32-22(3)18-39(34(43)29-12-7-15-35-29)20-28(32)31(38-40)33(42)37-25-11-5-8-21(2)16-25;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/h4-17,22,35H,1,18-20H2,2-3H3,(H,36,41)(H,37,42);5-14,19,33H,4,15-18H2,1-3H3,(H,34,39)
• InChIKey: AJJXEINBDBEJBU-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 221.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.29
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 157133904) is 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)Nc1ccc2c(Cn3nc(C(=O)Nc4cccc(C)c4)c4c3C(C)CN(C(=O)c3ccc[nH]3)C4)cccc2c1.CCC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1OC.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is AJJXEINBDBEJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O3.C31H32FN5O4/c1-4-30(41)36-26-13-14-27-23(17-26)9-6-10-24(27)19-40-32-22(3)18-39(34(43)29-12-7-15-35-29)20-28(32)31(38-40)33(42)37-25-11-5-8-21(2)16-25;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/h4-17,22,35H,1,18-20H2,2-3H3,(H,36,41)(H,37,42);5-14,19,33H,4,15-18H2,1-3H3,(H,34,39).

What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]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-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1130.29 g/mol, XLogP of 10.80, 16 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-N-[4-methoxy-3-(2-oxobutyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 157133904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).