4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

C18H25ClN4O — CID 167425639

IUPAC4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
SMILESCC(C)n1ccc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)n1
InChIInChI=1S/C18H25ClN4O/c1-12(2)23-9-6-15(22-23)14-11-20-17(19)10-16(14)21-13-4-7-18(3,24)8-5-13/h6,9-13,24H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyLWKDTEHXWQNIJE-UHFFFAOYSA-N
MW348.88 g/mol
LogP4.28
Rot. Bonds4

About 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (PubChem CID 167425639) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
PubChem CID167425639
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
SMILESCC(C)n1ccc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)n1
InChIInChI=1S/C18H25ClN4O/c1-12(2)23-9-6-15(22-23)14-11-20-17(19)10-16(14)21-13-4-7-18(3,24)8-5-13/h6,9-13,24H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyLWKDTEHXWQNIJE-UHFFFAOYSA-N
XLogP4.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-chloro-5-(5-pyrrolidin-1-yl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572369
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
CID 167425800
4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167426004
[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167425704
4-[[2-chloro-5-(4-methylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572538
4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572466
4-[[2-chloro-5-(3-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572591
4-[[2-chloro-5-[3-(difluoromethyl)pyrazol-1-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425812
4-[[2-chloro-5-[4-(3-hydroxypropylamino)-2-pyridinyl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572584
4-[[2-chloro-5-(5-fluoro-3-methoxy-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572522
4-N-[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 175837930
1-[4-[[5-[1-(difluoromethyl)pyrazol-3-yl]-4-[(4-hydroxy-4-methylcyclohexyl)amino]-2-pyridinyl]amino]pyrimidin-2-yl]-4,4-difluoropyrrolidin-3-ol
CID 167426076

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (CID 167425639) is 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is CC(C)n1ccc(-c2cnc(Cl)cc2NC2CCC(C)(O)CC2)n1.
What is the InChIKey of 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is LWKDTEHXWQNIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-12(2)23-9-6-15(22-23)14-11-20-17(19)10-16(14)21-13-4-7-18(3,24)8-5-13/h6,9-13,24H,4-5,7-8H2,1-3H3,(H,20,21).
What are the key properties of 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 348.88 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 167425639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).