N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide

C19H21F2N5O — CID 90447826

IUPACN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide
SMILESN#Cc1ccc2nc(NC(=O)CC3CCC(F)(F)CC3)n(C3CCC3)c2n1
InChIInChI=1S/C19H21F2N5O/c20-19(21)8-6-12(7-9-19)10-16(27)25-18-24-15-5-4-13(11-22)23-17(15)26(18)14-2-1-3-14/h4-5,12,14H,1-3,6-10H2,(H,24,25,27)
InChIKeySAWIUODACWHSSG-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.18
Rot. Bonds4

About N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide

N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide (PubChem CID 90447826) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide
PubChem CID90447826
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide
SMILESN#Cc1ccc2nc(NC(=O)CC3CCC(F)(F)CC3)n(C3CCC3)c2n1
InChIInChI=1S/C19H21F2N5O/c20-19(21)8-6-12(7-9-19)10-16(27)25-18-24-15-5-4-13(11-22)23-17(15)26(18)14-2-1-3-14/h4-5,12,14H,1-3,6-10H2,(H,24,25,27)
InChIKeySAWIUODACWHSSG-UHFFFAOYSA-N
XLogP4.18
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide?
The IUPAC name of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide (CID 90447826) is N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide.
What is the SMILES notation for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide?
The canonical SMILES for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide is N#Cc1ccc2nc(NC(=O)CC3CCC(F)(F)CC3)n(C3CCC3)c2n1.
What is the InChIKey of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide?
The InChIKey is SAWIUODACWHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O/c20-19(21)8-6-12(7-9-19)10-16(27)25-18-24-15-5-4-13(11-22)23-17(15)26(18)14-2-1-3-14/h4-5,12,14H,1-3,6-10H2,(H,24,25,27).
What are the key properties of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide?
N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4,4-difluorocyclohexyl)acetamide is sourced from PubChem (CID 90447826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).