[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol

C15H18F2N4O — CID 139300436

IUPAC[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol
SMILESCc1cc(C)n(-c2cc(CO)cc(NC3CC(F)(F)C3)n2)n1
InChIInChI=1S/C15H18F2N4O/c1-9-3-10(2)21(20-9)14-5-11(8-22)4-13(19-14)18-12-6-15(16,17)7-12/h3-5,12,22H,6-8H2,1-2H3,(H,18,19)
InChIKeyJNMDWCRQVJXQAS-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.59
Rot. Bonds4

About [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol

[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol (PubChem CID 139300436) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol
PubChem CID139300436
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol
SMILESCc1cc(C)n(-c2cc(CO)cc(NC3CC(F)(F)C3)n2)n1
InChIInChI=1S/C15H18F2N4O/c1-9-3-10(2)21(20-9)14-5-11(8-22)4-13(19-14)18-12-6-15(16,17)7-12/h3-5,12,22H,6-8H2,1-2H3,(H,18,19)
InChIKeyJNMDWCRQVJXQAS-UHFFFAOYSA-N
XLogP2.59
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(fluoromethyl)pyridin-2-amine
CID 158205230
6-[(3,3-difluorocyclopentyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonyl chloride
CID 139300434
[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol
CID 63076539
N-cyclooctyl-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 71885724
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol
CID 161017914
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
CID 133284396
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 56823393
1-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305589
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
methyl 4-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 133284189
6-(3,5-dimethylpyrazol-1-yl)-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyridazin-3-amine
CID 98559250

Frequently Asked Questions

What is the IUPAC name of [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol (CID 139300436) is [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol is Cc1cc(C)n(-c2cc(CO)cc(NC3CC(F)(F)C3)n2)n1.
What is the InChIKey of [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol?
The InChIKey is JNMDWCRQVJXQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-9-3-10(2)21(20-9)14-5-11(8-22)4-13(19-14)18-12-6-15(16,17)7-12/h3-5,12,22H,6-8H2,1-2H3,(H,18,19).
What are the key properties of [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol?
[2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol has a molecular weight of 308.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,3-difluorocyclobutyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 139300436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).