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

C16H19ClF2N4O — CID 167425704

IUPAC[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H19ClF2N4O/c17-15-7-14(21-11-3-1-10(9-24)2-4-11)12(8-20-15)13-5-6-23(22-13)16(18)19/h5-8,10-11,16,24H,1-4,9H2,(H,20,21)
InChIKeyLDKGGHZHGJKDLK-UHFFFAOYSA-N
MW356.80 g/mol
LogP3.96
Rot. Bonds5

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

[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 167425704) has the molecular formula C16H19ClF2N4O and a molecular weight of 356.80 g/mol. Its IUPAC name is [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
PubChem CID167425704
Molecular FormulaC16H19ClF2N4O
Molecular Weight356.80 g/mol
Exact Mass356.12
IUPAC Name[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H19ClF2N4O/c17-15-7-14(21-11-3-1-10(9-24)2-4-11)12(8-20-15)13-5-6-23(22-13)16(18)19/h5-8,10-11,16,24H,1-4,9H2,(H,20,21)
InChIKeyLDKGGHZHGJKDLK-UHFFFAOYSA-N
XLogP3.96
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 53.96
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]methyl]cyclohexyl]methanol
CID 167426087
[4-[[2-chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol
CID 167426166
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
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
CID 167425997
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
CID 167425959
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
2-[4-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]ethanol
CID 167426040
4-N-[2-chloro-5-[1-[3-(dimethylamino)propyl]pyrazol-3-yl]-4-pyridinyl]-1-N-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 175837939
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
4-[[2-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(hydroxymethyl)cyclohexan-1-ol
CID 167425718

Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol (CID 167425704) is [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is OCC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1.
What is the InChIKey of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is LDKGGHZHGJKDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O/c17-15-7-14(21-11-3-1-10(9-24)2-4-11)12(8-20-15)13-5-6-23(22-13)16(18)19/h5-8,10-11,16,24H,1-4,9H2,(H,20,21).
What are the key properties of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 356.80 g/mol, XLogP of 3.96, 5 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-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 167425704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).