1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide

C107H102Cl3FN20O12 — CID 158045107

About 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide

1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide (PubChem CID 158045107) has the molecular formula C107H102Cl3FN20O12 and a molecular weight of 1985.48 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide
• PubChem CID: 158045107
• Molecular Formula: C107H102Cl3FN20O12
• Molecular Weight: 1985.48 g/mol
• Exact Mass: 1982.70
• IUPAC Name: 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide
• SMILES: COc1nc2c(cc1C(=O)N1CCc3c(cnn3-c3ccccc3Cl)C1)C(C(=O)C(=O)N(C)C)=CC2.Cc1ccccc1-n1ncc2c1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc1Cl)C2.Cc1ccccc1-n1ncc2c1CCN(C(=O)c1ccc3c(c1)C(C(=O)C(=O)N(C)C)=CC3)C2.O=C(NC1CCNCC1)c1nn(-c2ccc(F)cc2Cl)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2
• InChI: InChI=1S/C27H26ClFN6O2.C27H26ClN5O3.C27H26N4O3.C26H24ClN5O4/c28-21-13-16(29)5-6-24(21)35-23-9-12-34(27(37)19-14-31-22-4-2-1-3-18(19)22)15-20(23)25(33-35)26(36)32-17-7-10-30-11-8-17;1-16-7-5-6-8-22(16)33-23-9-10-32(14-17(23)13-29-33)26(35)19-11-18-20(25(34)27(36)30(2)3)15-31(4)24(18)12-21(19)28;1-17-6-4-5-7-23(17)31-24-12-13-30(16-20(24)15-28-31)26(33)19-9-8-18-10-11-21(22(18)14-19)25(32)27(34)29(2)3;1-30(2)26(35)23(33)16-8-9-20-17(16)12-18(24(29-20)36-3)25(34)31-11-10-21-15(14-31)13-28-32(21)22-7-5-4-6-19(22)27/h1-6,13-14,17,30-31H,7-12,15H2,(H,32,36);5-8,11-13,15H,9-10,14H2,1-4H3;4-9,11,14-15H,10,12-13,16H2,1-3H3;4-8,12-13H,9-11,14H2,1-3H3
• InChIKey: FIUWBHAENLNRRS-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 348.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1985.48
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide?

The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide (CID 158045107) is 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide.

What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide?

The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide is COc1nc2c(cc1C(=O)N1CCc3c(cnn3-c3ccccc3Cl)C1)C(C(=O)C(=O)N(C)C)=CC2.Cc1ccccc1-n1ncc2c1CCN(C(=O)c1cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc1Cl)C2.Cc1ccccc1-n1ncc2c1CCN(C(=O)c1ccc3c(c1)C(C(=O)C(=O)N(C)C)=CC3)C2.O=C(NC1CCNCC1)c1nn(-c2ccc(F)cc2Cl)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2.

What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide?

The InChIKey is FIUWBHAENLNRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN6O2.C27H26ClN5O3.C27H26N4O3.C26H24ClN5O4/c28-21-13-16(29)5-6-24(21)35-23-9-12-34(27(37)19-14-31-22-4-2-1-3-18(19)22)15-20(23)25(33-35)26(36)32-17-7-10-30-11-8-17;1-16-7-5-6-8-22(16)33-23-9-10-32(14-17(23)13-29-33)26(35)19-11-18-20(25(34)27(36)30(2)3)15-31(4)24(18)12-21(19)28;1-17-6-4-5-7-23(17)31-24-12-13-30(16-20(24)15-28-31)26(33)19-9-8-18-10-11-21(22(18)14-19)25(32)27(34)29(2)3;1-30(2)26(35)23(33)16-8-9-20-17(16)12-18(24(29-20)36-3)25(34)31-11-10-21-15(14-31)13-28-32(21)22-7-5-4-6-19(22)27/h1-6,13-14,17,30-31H,7-12,15H2,(H,32,36);5-8,11-13,15H,9-10,14H2,1-4H3;4-9,11,14-15H,10,12-13,16H2,1-3H3;4-8,12-13H,9-11,14H2,1-3H3.

What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide?

1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide has a molecular weight of 1985.48 g/mol, XLogP of 13.32, 17 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-N-piperidin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;2-[6-chloro-1-methyl-5-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[3-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-2-methoxy-7H-cyclopenta[b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-[6-[1-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-3H-inden-1-yl]-2-oxoacetamide is sourced from PubChem (CID 158045107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).