[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone

C46H42F6N8O — CID 87356507

IUPAC[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCC2)CC1c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C46H42F6N8O/c47-45(48,49)32-9-3-11-35(23-32)59-42(28-13-14-28)38(40(55-59)30-7-5-18-53-26-30)37-25-34(57-20-1-2-21-57)17-22-58(37)44(61)39-41(31-8-6-19-54-27-31)56-60(43(39)29-15-16-29)36-12-4-10-33(24-36)46(50,51)52/h3-12,18-19,23-24,26-29,34,37H,1-2,13-17,20-22,25H2
InChIKeyFTTDSIBEXQHBJJ-UHFFFAOYSA-N
MW836.89 g/mol
LogP10.42
Rot. Bonds9

About [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone

[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 87356507) has the molecular formula C46H42F6N8O and a molecular weight of 836.89 g/mol. Its IUPAC name is [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID87356507
Molecular FormulaC46H42F6N8O
Molecular Weight836.89 g/mol
Exact Mass836.34
IUPAC Name[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCC2)CC1c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1
InChIInChI=1S/C46H42F6N8O/c47-45(48,49)32-9-3-11-35(23-32)59-42(28-13-14-28)38(40(55-59)30-7-5-18-53-26-30)37-25-34(57-20-1-2-21-57)17-22-58(37)44(61)39-41(31-8-6-19-54-27-31)56-60(43(39)29-15-16-29)36-12-4-10-33(24-36)46(50,51)52/h3-12,18-19,23-24,26-29,34,37H,1-2,13-17,20-22,25H2
InChIKeyFTTDSIBEXQHBJJ-UHFFFAOYSA-N
XLogP10.42
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.89
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 87356507) is [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone is O=C(c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCC2)CC1c1c(-c2cccnc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is FTTDSIBEXQHBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42F6N8O/c47-45(48,49)32-9-3-11-35(23-32)59-42(28-13-14-28)38(40(55-59)30-7-5-18-53-26-30)37-25-34(57-20-1-2-21-57)17-22-58(37)44(61)39-41(31-8-6-19-54-27-31)56-60(43(39)29-15-16-29)36-12-4-10-33(24-36)46(50,51)52/h3-12,18-19,23-24,26-29,34,37H,1-2,13-17,20-22,25H2.
What are the key properties of [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone?
[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 836.89 g/mol, XLogP of 10.42, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[2-[5-cyclopropyl-3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 87356507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).