N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide

C43H48F6N10O4 — CID 138592660

About N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide

N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide (PubChem CID 138592660) has the molecular formula C43H48F6N10O4 and a molecular weight of 882.91 g/mol. Its IUPAC name is N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide.

Molecular Properties

• Compound Name: N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide
• PubChem CID: 138592660
• Molecular Formula: C43H48F6N10O4
• Molecular Weight: 882.91 g/mol
• Exact Mass: 882.38
• IUPAC Name: N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide
• SMILES: CNC(=O)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccc(-n5nc(C(=O)N6CCC(c7ccccc7C(F)(F)F)CC6)c6c5CCN(C(=O)NC)C6)cc4C(F)(F)F)CC3)c2C1
• InChI: InChI=1S/C43H48F6N10O4/c1-50-40(62)57-16-5-8-34-30(23-57)36(53-52-34)38(60)55-17-13-26(14-18-55)29-10-9-27(22-33(29)43(47,48)49)59-35-15-21-58(41(63)51-2)24-31(35)37(54-59)39(61)56-19-11-25(12-20-56)28-6-3-4-7-32(28)42(44,45)46/h3-4,6-7,9-10,22,25-26H,5,8,11-21,23-24H2,1-2H3,(H,50,62)(H,51,63)(H,52,53)
• InChIKey: VXCXFZDLMRDJGP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 151.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.91
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?

The IUPAC name of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide (CID 138592660) is N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide.

What is the SMILES notation for N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?

The canonical SMILES for N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide is CNC(=O)N1CCCc2[nH]nc(C(=O)N3CCC(c4ccc(-n5nc(C(=O)N6CCC(c7ccccc7C(F)(F)F)CC6)c6c5CCN(C(=O)NC)C6)cc4C(F)(F)F)CC3)c2C1.

What is the InChIKey of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?

The InChIKey is VXCXFZDLMRDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48F6N10O4/c1-50-40(62)57-16-5-8-34-30(23-57)36(53-52-34)38(60)55-17-13-26(14-18-55)29-10-9-27(22-33(29)43(47,48)49)59-35-15-21-58(41(63)51-2)24-31(35)37(54-59)39(61)56-19-11-25(12-20-56)28-6-3-4-7-32(28)42(44,45)46/h3-4,6-7,9-10,22,25-26H,5,8,11-21,23-24H2,1-2H3,(H,50,62)(H,51,63)(H,52,53).

What are the key properties of N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide?

N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide has a molecular weight of 882.91 g/mol, XLogP of 6.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[4-[4-[5-(methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine-5-carboxamide is sourced from PubChem (CID 138592660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).