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;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;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

C93H94F2N18O11 — CID 159040055

About 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;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;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

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;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;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 159040055) has the molecular formula C93H94F2N18O11 and a molecular weight of 1677.89 g/mol. Its IUPAC name is 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;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;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: 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;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;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: 159040055
• Molecular Formula: C93H94F2N18O11
• Molecular Weight: 1677.89 g/mol
• Exact Mass: 1676.73
• IUPAC Name: 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;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;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)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2.C=CC(=O)Nc1cc(F)ccc1Cn1nc(C(=O)Nc2cccc([C@H](C)O)c2)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2.C=CC(=O)Nc1cccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2C(C)CN(C(=O)c2ccc[nH]2)C3)c1
• InChI: InChI=1S/C32H33FN6O4.C31H31FN6O4.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;1-4-27(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;1-4-26(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);4-14,18-19,33,39H,1,15-17H2,2-3H3,(H,34,41)(H,35,40);4-15,20,31H,1,16-18H2,2-3H3,(H,32,37)(H,33,38)/t19?,20-;18?,19-;/m00./s1
• InChIKey: JVYCEJFXBVFUMV-YHSRLMOVSA-N
• XLogP: 13.56
• TPSA: 376.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1677.89
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;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;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 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;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;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 159040055) is 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;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;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 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;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;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 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;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;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)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2.C=CC(=O)Nc1cc(F)ccc1Cn1nc(C(=O)Nc2cccc([C@H](C)O)c2)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2.C=CC(=O)Nc1cccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2C(C)CN(C(=O)c2ccc[nH]2)C3)c1.

What is the InChIKey of 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;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;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 JVYCEJFXBVFUMV-YHSRLMOVSA-N. The full InChI is InChI=1S/C32H33FN6O4.C31H31FN6O4.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;1-4-27(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;1-4-26(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);4-14,18-19,33,39H,1,15-17H2,2-3H3,(H,34,41)(H,35,40);4-15,20,31H,1,16-18H2,2-3H3,(H,32,37)(H,33,38)/t19?,20-;18?,19-;/m00./s1.

What are the key properties of 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;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;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?

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;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;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 1677.89 g/mol, XLogP of 13.56, 24 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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;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;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 159040055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).