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

C15H17ClF2N4O — CID 167425763

IUPAC[3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol
SMILESCC1(CO)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C15H17ClF2N4O/c1-15(8-23)5-9(6-15)20-12-4-13(16)19-7-10(12)11-2-3-22(21-11)14(17)18/h2-4,7,9,14,23H,5-6,8H2,1H3,(H,19,20)
InChIKeySSQQULPNQBGBIT-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.57
Rot. Bonds5

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

[3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol (PubChem CID 167425763) has the molecular formula C15H17ClF2N4O and a molecular weight of 342.78 g/mol. Its IUPAC name is [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol
PubChem CID167425763
Molecular FormulaC15H17ClF2N4O
Molecular Weight342.78 g/mol
Exact Mass342.11
IUPAC Name[3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol
SMILESCC1(CO)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1
InChIInChI=1S/C15H17ClF2N4O/c1-15(8-23)5-9(6-15)20-12-4-13(16)19-7-10(12)11-2-3-22(21-11)14(17)18/h2-4,7,9,14,23H,5-6,8H2,1H3,(H,19,20)
InChIKeySSQQULPNQBGBIT-UHFFFAOYSA-N
XLogP3.57
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.57
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-chloro-N-propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-4-amine
CID 124160394
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
4-[[2-Chloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425668
cis-(1R,3S)-3-[[[2-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 167425685

Frequently Asked Questions

What is the IUPAC name of [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol?
The IUPAC name of [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol (CID 167425763) is [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol.
What is the SMILES notation for [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol?
The canonical SMILES for [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol is CC1(CO)CC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)C1.
What is the InChIKey of [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol?
The InChIKey is SSQQULPNQBGBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4O/c1-15(8-23)5-9(6-15)20-12-4-13(16)19-7-10(12)11-2-3-22(21-11)14(17)18/h2-4,7,9,14,23H,5-6,8H2,1H3,(H,19,20).
What are the key properties of [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol?
[3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol has a molecular weight of 342.78 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclobutyl]methanol is sourced from PubChem (CID 167425763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).