N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C121H121ClF4N22O12 — CID 158413085

About N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 158413085) has the molecular formula C121H121ClF4N22O12 and a molecular weight of 2186.89 g/mol. Its IUPAC name is N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• PubChem CID: 158413085
• Molecular Formula: C121H121ClF4N22O12
• Molecular Weight: 2186.89 g/mol
• Exact Mass: 2184.92
• IUPAC Name: N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
• SMILES: C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1Cl.C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1OC.C=CC(=O)N1CCc2ccc(NC(=O)c3nn(Cc4ccc(F)cc4)c4c3CN(C(=O)c3ccc[nH]3)CC4C)cc21.C=CC(C)N1CCC(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)CC1
• InChI: InChI=1S/C31H29FN6O3.C31H30FN5O4.C30H27ClFN5O3.C29H35FN6O2/c1-3-27(39)37-14-12-21-8-11-23(15-26(21)37)34-30(40)28-24-18-36(31(41)25-5-4-13-33-25)16-19(2)29(24)38(35-28)17-20-6-9-22(32)10-7-20;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;1-3-23(38)14-20-13-22(10-11-25(20)31)34-29(39)27-24-17-36(30(40)26-5-4-12-33-26)15-18(2)28(24)37(35-27)16-19-6-8-21(32)9-7-19;1-4-20(3)34-14-11-23(12-15-34)32-28(37)26-24-18-35(29(38)25-6-5-13-31-25)16-19(2)27(24)36(33-26)17-21-7-9-22(30)10-8-21/h3-11,13,15,19,33H,1,12,14,16-18H2,2H3,(H,34,40);4-14,19,33H,1,15-18H2,2-3H3,(H,34,39);3-13,18,33H,1,14-17H2,2H3,(H,34,39);4-10,13,19-20,23,31H,1,11-12,14-18H2,2-3H3,(H,32,37)
• InChIKey: GZNXUCUAYRKTGA-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 399.00 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2186.89
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The IUPAC name of N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 158413085) is N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The canonical SMILES for N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1Cl.C=CC(=O)Cc1cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)ccc1OC.C=CC(=O)N1CCc2ccc(NC(=O)c3nn(Cc4ccc(F)cc4)c4c3CN(C(=O)c3ccc[nH]3)CC4C)cc21.C=CC(C)N1CCC(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)CC1.

What is the InChIKey of N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

The InChIKey is GZNXUCUAYRKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN6O3.C31H30FN5O4.C30H27ClFN5O3.C29H35FN6O2/c1-3-27(39)37-14-12-21-8-11-23(15-26(21)37)34-30(40)28-24-18-36(31(41)25-5-4-13-33-25)16-19(2)29(24)38(35-28)17-20-6-9-22(32)10-7-20;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;1-3-23(38)14-20-13-22(10-11-25(20)31)34-29(39)27-24-17-36(30(40)26-5-4-12-33-26)15-18(2)28(24)37(35-27)16-19-6-8-21(32)9-7-19;1-4-20(3)34-14-11-23(12-15-34)32-28(37)26-24-18-35(29(38)25-6-5-13-31-25)16-19(2)27(24)36(33-26)17-21-7-9-22(30)10-8-21/h3-11,13,15,19,33H,1,12,14,16-18H2,2H3,(H,34,40);4-14,19,33H,1,15-18H2,2-3H3,(H,34,39);3-13,18,33H,1,14-17H2,2H3,(H,34,39);4-10,13,19-20,23,31H,1,11-12,14-18H2,2-3H3,(H,32,37).

What are the key properties of N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?

N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 2186.89 g/mol, XLogP of 18.49, 30 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-but-3-en-2-ylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;N-[4-chloro-3-(2-oxobut-3-enyl)phenyl]-1-[(4-fluorophenyl)methyl]-7-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-oxobut-3-enyl)phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-N-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 158413085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).