2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone

C23H23F3N4O3 — CID 149343151

IUPAC2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone
SMILESCc1c(C(=O)Cc2ccc(C3(O)CCC(O)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N4O3/c1-14-18(13-29-30(14)21-5-3-16(12-28-21)23(24,25)26)19(32)10-15-2-4-20(27-11-15)22(33)8-6-17(31)7-9-22/h2-5,11-13,17,31,33H,6-10H2,1H3
InChIKeyYEOJGCSPNBGWTB-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.54
Rot. Bonds5

About 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone

2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone (PubChem CID 149343151) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone
PubChem CID149343151
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone
SMILESCc1c(C(=O)Cc2ccc(C3(O)CCC(O)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N4O3/c1-14-18(13-29-30(14)21-5-3-16(12-28-21)23(24,25)26)19(32)10-15-2-4-20(27-11-15)22(33)8-6-17(31)7-9-22/h2-5,11-13,17,31,33H,6-10H2,1H3
InChIKeyYEOJGCSPNBGWTB-UHFFFAOYSA-N
XLogP3.54
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

US10239838, Example 24
CID 121413934
US10239838, Example 49
CID 121413990
N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)-2-(1H-pyrazol-1-yl)nicotinamide
CID 121416869
N-[6-(4-Hydroxycyclohex-1-en-1-yl)-5-methylpyridin-3-yl]-5-methyl-1-[5-(trifluoromethyl)-pyridin-2-yl]-1H-pyrazole-4-carboxamide
CID 56961707
1-[1-[4-(Hydroxymethyl)phenyl]-5-(trifluoromethyl)pyrazol-4-yl]-2-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 58431699
5-[2-(3-Acetylanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353743
5-[2-(3-Acetylanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353791
1-[7-amino-5-[2-[(2R,5R)-5-methylpyrrolidin-2-yl]ethyl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 68273419
1-[7-amino-5-[2-[(2S)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]ethyl]-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71135038
trans-N-[6-(4-Hydroxycyclohexyl)-5-methylpyridin-3-yl]-5-methyl-1-[5-(trifluoromethyl)-pyridin-2-yl]-1H-pyrazole-4-carboxamide
CID 72700123
N-[6-(1-fluoro-4-hydroxycyclohexyl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 72700301
N-[6-(4-hydroxycyclohexyl)pyridin-3-yl]-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 72700302

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone?
The IUPAC name of 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone (CID 149343151) is 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone is Cc1c(C(=O)Cc2ccc(C3(O)CCC(O)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone?
The InChIKey is YEOJGCSPNBGWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-14-18(13-29-30(14)21-5-3-16(12-28-21)23(24,25)26)19(32)10-15-2-4-20(27-11-15)22(33)8-6-17(31)7-9-22/h2-5,11-13,17,31,33H,6-10H2,1H3.
What are the key properties of 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone?
2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone has a molecular weight of 460.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,4-dihydroxycyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 149343151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).