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

C29H32F3N5O2 — CID 25206420

IUPAC[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(-c2ccncc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCC[C@H]2CO)CC1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)21-3-1-4-23(17-21)37-27(20-6-7-20)25(26(34-37)19-8-12-33-13-9-19)28(39)35-15-10-22(11-16-35)36-14-2-5-24(36)18-38/h1,3-4,8-9,12-13,17,20,22,24,38H,2,5-7,10-11,14-16,18H2/t24-/m0/s1
InChIKeyHANAKBPJSUBEGL-DEOSSOPVSA-N
MW539.60 g/mol
LogP4.89
Rot. Bonds6

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

[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone (PubChem CID 25206420) has the molecular formula C29H32F3N5O2 and a molecular weight of 539.60 g/mol. Its IUPAC name is [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
PubChem CID25206420
Molecular FormulaC29H32F3N5O2
Molecular Weight539.60 g/mol
Exact Mass539.25
IUPAC Name[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(-c2ccncc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCC[C@H]2CO)CC1
InChIInChI=1S/C29H32F3N5O2/c30-29(31,32)21-3-1-4-23(17-21)37-27(20-6-7-20)25(26(34-37)19-8-12-33-13-9-19)28(39)35-15-10-22(11-16-35)36-14-2-5-24(36)18-38/h1,3-4,8-9,12-13,17,20,22,24,38H,2,5-7,10-11,14-16,18H2/t24-/m0/s1
InChIKeyHANAKBPJSUBEGL-DEOSSOPVSA-N
XLogP4.89
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-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-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone (CID 25206420) is [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone is O=C(c1c(-c2ccncc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCC[C@H]2CO)CC1.
What is the InChIKey of [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is HANAKBPJSUBEGL-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c30-29(31,32)21-3-1-4-23(17-21)37-27(20-6-7-20)25(26(34-37)19-8-12-33-13-9-19)28(39)35-15-10-22(11-16-35)36-14-2-5-24(36)18-38/h1,3-4,8-9,12-13,17,20,22,24,38H,2,5-7,10-11,14-16,18H2/t24-/m0/s1.
What are the key properties of [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone?
[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 539.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25206420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).