[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol

C17H21ClF2N4O — CID 167426166

IUPAC[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(Cl)ncc2-c2ccn(CC(F)F)n2)CC1
InChIInChI=1S/C17H21ClF2N4O/c18-16-7-15(22-12-3-1-11(10-25)2-4-12)13(8-21-16)14-5-6-24(23-14)9-17(19)20/h5-8,11-12,17,25H,1-4,9-10H2,(H,21,22)
InChIKeyVQZHIPVAMGUABF-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.83
Rot. Bonds6

About [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol

[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 167426166) has the molecular formula C17H21ClF2N4O and a molecular weight of 370.83 g/mol. Its IUPAC name is [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
PubChem CID167426166
Molecular FormulaC17H21ClF2N4O
Molecular Weight370.83 g/mol
Exact Mass370.14
IUPAC Name[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(Cl)ncc2-c2ccn(CC(F)F)n2)CC1
InChIInChI=1S/C17H21ClF2N4O/c18-16-7-15(22-12-3-1-11(10-25)2-4-12)13(8-21-16)14-5-6-24(23-14)9-17(19)20/h5-8,11-12,17,25H,1-4,9-10H2,(H,21,22)
InChIKeyVQZHIPVAMGUABF-UHFFFAOYSA-N
XLogP3.83
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167425704
[4-[[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 167426087
4-N-[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 175837930
[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167426462
4-N-[2-chloro-5-[1-[3-(dimethylamino)propyl]pyrazol-3-yl]-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 175837939
4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-2,2-dimethylcyclohexan-1-ol
CID 167425800
4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425639
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-[4-[[2,2-difluoroethyl(methyl)amino]methyl]cyclohexyl]-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyridine-2,4-diamine
CID 175846212
[4-[[2-chloro-5-[2-(1-methylcyclopropyl)ethynyl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 175857987
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
CID 167425997
2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine
CID 175846268
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
CID 167425959

Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (CID 167426166) is [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is OCC1CCC(Nc2cc(Cl)ncc2-c2ccn(CC(F)F)n2)CC1.
What is the InChIKey of [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is VQZHIPVAMGUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF2N4O/c18-16-7-15(22-12-3-1-11(10-25)2-4-12)13(8-21-16)14-5-6-24(23-14)9-17(19)20/h5-8,11-12,17,25H,1-4,9-10H2,(H,21,22).
What are the key properties of [4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 370.83 g/mol, XLogP of 3.83, 6 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-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 167426166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).