2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol

C25H32N2O3 — CID 143800040

IUPAC2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol
SMILESCOc1ccccc1C1OC1N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C25H32N2O3/c1-29-21-7-3-2-6-20(21)23-24(30-23)27(18-9-10-18)19-11-13-25(14-12-19,15-17-28)22-8-4-5-16-26-22/h2-8,16,18-19,23-24,28H,9-15,17H2,1H3
InChIKeyQGGHNZGBXMIDSV-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.22
Rot. Bonds8

About 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol

2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol (PubChem CID 143800040) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol
PubChem CID143800040
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol
SMILESCOc1ccccc1C1OC1N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C25H32N2O3/c1-29-21-7-3-2-6-20(21)23-24(30-23)27(18-9-10-18)19-11-13-25(14-12-19,15-17-28)22-8-4-5-16-26-22/h2-8,16,18-19,23-24,28H,9-15,17H2,1H3
InChIKeyQGGHNZGBXMIDSV-UHFFFAOYSA-N
XLogP4.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol 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

N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25016746
N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 24966837
2-chloro-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
CID 24968614
4-chloro-N-cyclopropyl-2-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
CID 24968615
2-[cyclobutyl-(3-methoxy-2-pyridinyl)amino]ethanol
CID 102869021
3-[(2,6-dimethoxyphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216424
(1S,5S)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064038
N-[4-(acetamidomethyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-[4-(3-amino-3-oxopropyl)-4-(4-fluorophenyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-(2-fluorophenyl)cyclohexyl]methyl carbamate;[4-[cyclopropyl-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoyl]amino]-1-phenylcyclohexyl]methyl carbamate
CID 162119485
(1S,5S)-3-[(2,3-dimethoxyphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063956
3-[(2,4-dimethoxyphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216425
(3aS,4S,6aR)-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-pyridin-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-ol
CID 92594361
N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 67625685

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol?
The IUPAC name of 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol (CID 143800040) is 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol?
The canonical SMILES for 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol is COc1ccccc1C1OC1N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.
What is the InChIKey of 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol?
The InChIKey is QGGHNZGBXMIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-29-21-7-3-2-6-20(21)23-24(30-23)27(18-9-10-18)19-11-13-25(14-12-19,15-17-28)22-8-4-5-16-26-22/h2-8,16,18-19,23-24,28H,9-15,17H2,1H3.
What are the key properties of 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol?
2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol has a molecular weight of 408.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl-[3-(2-methoxyphenyl)oxiran-2-yl]amino]-1-pyridin-2-ylcyclohexyl]ethanol is sourced from PubChem (CID 143800040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).