5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one

C39H38F6N8O4 — CID 137455961

IUPAC5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
SMILESCN1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(-c3ccc(C4CCN(C(=O)c5n[nH]c6c5CC(=O)NC6)CC4)c(C(F)(F)F)c3)c2CC1=O
InChIInChI=1S/C39H38F6N8O4/c1-50-20-27-31(18-33(50)55)53(49-35(27)37(57)52-14-8-21(9-15-52)24-4-2-3-5-28(24)38(40,41)42)23-6-7-25(29(16-23)39(43,44)45)22-10-12-51(13-11-22)36(56)34-26-17-32(54)46-19-30(26)47-48-34/h2-7,16,21-22H,8-15,17-20H2,1H3,(H,46,54)(H,47,48)
InChIKeyPLKXRLKVEUTTBN-UHFFFAOYSA-N
MW796.77 g/mol
LogP5.36
Rot. Bonds5

About 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one

5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one (PubChem CID 137455961) has the molecular formula C39H38F6N8O4 and a molecular weight of 796.77 g/mol. Its IUPAC name is 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one.

Molecular Properties

Compound Name5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
PubChem CID137455961
Molecular FormulaC39H38F6N8O4
Molecular Weight796.77 g/mol
Exact Mass796.29
IUPAC Name5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
SMILESCN1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(-c3ccc(C4CCN(C(=O)c5n[nH]c6c5CC(=O)NC6)CC4)c(C(F)(F)F)c3)c2CC1=O
InChIInChI=1S/C39H38F6N8O4/c1-50-20-27-31(18-33(50)55)53(49-35(27)37(57)52-14-8-21(9-15-52)24-4-2-3-5-28(24)38(40,41)42)23-6-7-25(29(16-23)39(43,44)45)22-10-12-51(13-11-22)36(56)34-26-17-32(54)46-19-30(26)47-48-34/h2-7,16,21-22H,8-15,17-20H2,1H3,(H,46,54)(H,47,48)
InChIKeyPLKXRLKVEUTTBN-UHFFFAOYSA-N
XLogP5.36
TPSA136.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.77
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
The IUPAC name of 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one (CID 137455961) is 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one.
What is the SMILES notation for 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
The canonical SMILES for 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one is CN1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(-c3ccc(C4CCN(C(=O)c5n[nH]c6c5CC(=O)NC6)CC4)c(C(F)(F)F)c3)c2CC1=O.
What is the InChIKey of 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
The InChIKey is PLKXRLKVEUTTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F6N8O4/c1-50-20-27-31(18-33(50)55)53(49-35(27)37(57)52-14-8-21(9-15-52)24-4-2-3-5-28(24)38(40,41)42)23-6-7-25(29(16-23)39(43,44)45)22-10-12-51(13-11-22)36(56)34-26-17-32(54)46-19-30(26)47-48-34/h2-7,16,21-22H,8-15,17-20H2,1H3,(H,46,54)(H,47,48).
What are the key properties of 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one has a molecular weight of 796.77 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-[1-(5-oxo-1,4,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydropyrazolo[4,3-c]pyridin-6-one is sourced from PubChem (CID 137455961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).