(7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C92H91F3N18O10 — CID 158159156

About (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

(7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 158159156) has the molecular formula C92H91F3N18O10 and a molecular weight of 1665.85 g/mol. Its IUPAC name is (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 158159156
• Molecular Formula: C92H91F3N18O10
• Molecular Weight: 1665.85 g/mol
• Exact Mass: 1664.71
• IUPAC Name: (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: C=CC(=O)NCc1cc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)ccc1F.C=CC(=O)Nc1cc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)ccc1F.C=CC(=O)Nc1cc(F)ccc1Cn1nc(C(=O)Nc2cccc([C@H](C)O)c2)c2c1[C@H](C)CN(C(=O)c1ccc[nH]1)C2
• InChI: InChI=1S/C31H31FN6O4.C31H31FN6O3.C30H29FN6O3/c1-4-27(40)35-26-14-22(32)11-10-21(26)16-38-29-18(2)15-37(31(42)25-9-6-12-33-25)17-24(29)28(36-38)30(41)34-23-8-5-7-20(13-23)19(3)39;1-4-27(39)34-15-22-14-21(10-11-25(22)32)17-38-29-20(3)16-37(31(41)26-9-6-12-33-26)18-24(29)28(36-38)30(40)35-23-8-5-7-19(2)13-23;1-4-26(38)34-25-14-20(10-11-23(25)31)16-37-28-19(3)15-36(30(40)24-9-6-12-32-24)17-22(28)27(35-37)29(39)33-21-8-5-7-18(2)13-21/h4-14,18-19,33,39H,1,15-17H2,2-3H3,(H,34,41)(H,35,40);4-14,20,33H,1,15-18H2,2-3H3,(H,34,39)(H,35,40);4-14,19,32H,1,15-17H2,2-3H3,(H,33,39)(H,34,38)/t18-,19+;20-;19-/m111/s1
• InChIKey: FWBCIQZWOVJHRP-ULYYQRDKSA-N
• XLogP: 13.95
• TPSA: 356.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.85
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 158159156) is (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)NCc1cc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)ccc1F.C=CC(=O)Nc1cc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)ccc1F.C=CC(=O)Nc1cc(F)ccc1Cn1nc(C(=O)Nc2cccc([C@H](C)O)c2)c2c1[C@H](C)CN(C(=O)c1ccc[nH]1)C2.

What is the InChIKey of (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is FWBCIQZWOVJHRP-ULYYQRDKSA-N. The full InChI is InChI=1S/C31H31FN6O4.C31H31FN6O3.C30H29FN6O3/c1-4-27(40)35-26-14-22(32)11-10-21(26)16-38-29-18(2)15-37(31(42)25-9-6-12-33-25)17-24(29)28(36-38)30(41)34-23-8-5-7-20(13-23)19(3)39;1-4-27(39)34-15-22-14-21(10-11-25(22)32)17-38-29-20(3)16-37(31(41)26-9-6-12-33-26)18-24(29)28(36-38)30(40)35-23-8-5-7-19(2)13-23;1-4-26(38)34-25-14-20(10-11-23(25)31)16-37-28-19(3)15-36(30(40)24-9-6-12-32-24)17-22(28)27(35-37)29(39)33-21-8-5-7-18(2)13-21/h4-14,18-19,33,39H,1,15-17H2,2-3H3,(H,34,41)(H,35,40);4-14,20,33H,1,15-18H2,2-3H3,(H,34,39)(H,35,40);4-14,19,32H,1,15-17H2,2-3H3,(H,33,39)(H,34,38)/t18-,19+;20-;19-/m111/s1.

What are the key properties of (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

(7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1665.85 g/mol, XLogP of 13.95, 23 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-1-[[4-fluoro-3-[(prop-2-enoylamino)methyl]phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-2-(prop-2-enoylamino)phenyl]methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-1-[[4-fluoro-3-(prop-2-enoylamino)phenyl]methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 158159156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).