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

C16H18ClF3N4O — CID 167425770

IUPAC[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
SMILESOCC1(F)CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H18ClF3N4O/c17-14-7-13(22-10-1-4-16(20,9-25)5-2-10)11(8-21-14)12-3-6-24(23-12)15(18)19/h3,6-8,10,15,25H,1-2,4-5,9H2,(H,21,22)
InChIKeyFUSDVCFHUHRHPR-UHFFFAOYSA-N
MW374.79 g/mol
LogP4.05
Rot. Bonds5

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

[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol (PubChem CID 167425770) has the molecular formula C16H18ClF3N4O and a molecular weight of 374.79 g/mol. Its IUPAC name is [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
PubChem CID167425770
Molecular FormulaC16H18ClF3N4O
Molecular Weight374.79 g/mol
Exact Mass374.11
IUPAC Name[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
SMILESOCC1(F)CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C16H18ClF3N4O/c17-14-7-13(22-10-1-4-16(20,9-25)5-2-10)11(8-21-14)12-3-6-24(23-12)15(18)19/h3,6-8,10,15,25H,1-2,4-5,9H2,(H,21,22)
InChIKeyFUSDVCFHUHRHPR-UHFFFAOYSA-N
XLogP4.05
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 54.05
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

2-[4-[(1-Methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 71922317
1-[4-Chloro-6-(trifluoromethyl)pyridin-3-yl]-2-(3-pyrazol-1-ylphenyl)ethanol
CID 150508686
N-[1-[3-chloro-1-[(4,4-difluorocyclohexyl)methyl]-4-methylpyrazol-5-yl]ethenyl]-2-methylpyridin-4-amine;formamide
CID 166528458
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-cyclopropylcyclohexan-1-ol
CID 167425594
4-[[2-Chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425605
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 167425613
4-[[2-Chloro-5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425630
[4-[[2-Chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
CID 167425635
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine
CID 167425655
2-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]cyclohexan-1-ol
CID 167425656
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine
CID 167425664
1-N-[2-chloro-5-(1-methylpyrazol-3-yl)-4-pyridinyl]-3-N-(2-fluoroethyl)cyclohexane-1,3-diamine
CID 167425667

Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol (CID 167425770) is [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol is OCC1(F)CCC(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]-1-fluorocyclohexyl]methanol?
The InChIKey is FUSDVCFHUHRHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O/c17-14-7-13(22-10-1-4-16(20,9-25)5-2-10)11(8-21-14)12-3-6-24(23-12)15(18)19/h3,6-8,10,15,25H,1-2,4-5,9H2,(H,21,22).
What are the key properties of [4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
[4-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol has a molecular weight of 374.79 g/mol, XLogP of 4.05, 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]-1-fluorocyclohexyl]methanol is sourced from PubChem (CID 167425770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).