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

C93H95FN18O10 — CID 160737560

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

(7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 160737560) has the molecular formula C93H95FN18O10 and a molecular weight of 1643.90 g/mol. Its IUPAC name is (7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 160737560
• Molecular Formula: C93H95FN18O10
• Molecular Weight: 1643.90 g/mol
• Exact Mass: 1642.75
• IUPAC Name: (7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: C=CC(=O)NCc1cc(F)ccc1Cn1nc(C(=O)Nc2cccc([C@H](C)O)c2)c2c1[C@H](C)CN(C(=O)c1ccc[nH]1)C2.C=CC(=O)Nc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)cc1C.C=CC(=O)Nc1cccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)c1
• InChI: InChI=1S/C32H33FN6O4.C31H32N6O3.C30H30N6O3/c1-4-28(41)35-15-23-13-24(33)11-10-22(23)17-39-30-19(2)16-38(32(43)27-9-6-12-34-27)18-26(30)29(37-39)31(42)36-25-8-5-7-21(14-25)20(3)40;1-5-27(38)34-25-12-11-22(15-20(25)3)17-37-29-21(4)16-36(31(40)26-10-7-13-32-26)18-24(29)28(35-37)30(39)33-23-9-6-8-19(2)14-23;1-4-26(37)32-23-11-6-9-21(15-23)17-36-28-20(3)16-35(30(39)25-12-7-13-31-25)18-24(28)27(34-36)29(38)33-22-10-5-8-19(2)14-22/h4-14,19-20,34,40H,1,15-18H2,2-3H3,(H,35,41)(H,36,42);5-15,21,32H,1,16-18H2,2-4H3,(H,33,39)(H,34,38);4-15,20,31H,1,16-18H2,2-3H3,(H,32,37)(H,33,38)/t19-,20+;21-;20-/m111/s1
• InChIKey: RVDUQGBRLUDLAJ-LORRAFGCSA-N
• XLogP: 13.98
• TPSA: 356.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1643.90
LogP ≤ 5	13.98
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-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of (7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 160737560) is (7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-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-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for (7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)NCc1cc(F)ccc1Cn1nc(C(=O)Nc2cccc([C@H](C)O)c2)c2c1[C@H](C)CN(C(=O)c1ccc[nH]1)C2.C=CC(=O)Nc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)cc1C.C=CC(=O)Nc1cccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)c1.

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

The InChIKey is RVDUQGBRLUDLAJ-LORRAFGCSA-N. The full InChI is InChI=1S/C32H33FN6O4.C31H32N6O3.C30H30N6O3/c1-4-28(41)35-15-23-13-24(33)11-10-22(23)17-39-30-19(2)16-38(32(43)27-9-6-12-34-27)18-26(30)29(37-39)31(42)36-25-8-5-7-21(14-25)20(3)40;1-5-27(38)34-25-12-11-22(15-20(25)3)17-37-29-21(4)16-36(31(40)26-10-7-13-32-26)18-24(29)28(35-37)30(39)33-23-9-6-8-19(2)14-23;1-4-26(37)32-23-11-6-9-21(15-23)17-36-28-20(3)16-35(30(39)25-12-7-13-31-25)18-24(28)27(34-36)29(38)33-22-10-5-8-19(2)14-22/h4-14,19-20,34,40H,1,15-18H2,2-3H3,(H,35,41)(H,36,42);5-15,21,32H,1,16-18H2,2-4H3,(H,33,39)(H,34,38);4-15,20,31H,1,16-18H2,2-3H3,(H,32,37)(H,33,38)/t19-,20+;21-;20-/m111/s1.

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

(7R)-1-[[4-fluoro-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 1643.90 g/mol, XLogP of 13.98, 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-2-[(prop-2-enoylamino)methyl]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)-7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;(7R)-7-methyl-N-(3-methylphenyl)-1-[[3-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 160737560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).