1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol

C17H22F2N4O — CID 137393183

IUPAC1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol
SMILESCc1ccc2nc(NC(O)CC3CC(F)(F)C3)n(C3CCC3)c2n1
InChIInChI=1S/C17H22F2N4O/c1-10-5-6-13-15(20-10)23(12-3-2-4-12)16(21-13)22-14(24)7-11-8-17(18,19)9-11/h5-6,11-12,14,24H,2-4,7-9H2,1H3,(H,21,22)
InChIKeyNTKABWHAQXQFTN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.63
Rot. Bonds5

About 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol

1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol (PubChem CID 137393183) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol.

Molecular Properties

Compound Name1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol
PubChem CID137393183
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol
SMILESCc1ccc2nc(NC(O)CC3CC(F)(F)C3)n(C3CCC3)c2n1
InChIInChI=1S/C17H22F2N4O/c1-10-5-6-13-15(20-10)23(12-3-2-4-12)16(21-13)22-14(24)7-11-8-17(18,19)9-11/h5-6,11-12,14,24H,2-4,7-9H2,1H3,(H,21,22)
InChIKeyNTKABWHAQXQFTN-UHFFFAOYSA-N
XLogP3.63
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol?
The IUPAC name of 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol (CID 137393183) is 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol.
What is the SMILES notation for 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol?
The canonical SMILES for 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol is Cc1ccc2nc(NC(O)CC3CC(F)(F)C3)n(C3CCC3)c2n1.
What is the InChIKey of 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol?
The InChIKey is NTKABWHAQXQFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-10-5-6-13-15(20-10)23(12-3-2-4-12)16(21-13)22-14(24)7-11-8-17(18,19)9-11/h5-6,11-12,14,24H,2-4,7-9H2,1H3,(H,21,22).
What are the key properties of 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol?
1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol has a molecular weight of 336.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)amino]-2-(3,3-difluorocyclobutyl)ethanol is sourced from PubChem (CID 137393183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).