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

C17H17F2N5O — CID 90448059

IUPACN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
SMILESN#Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3)n(C3CCC3)c2n1
InChIInChI=1S/C17H17F2N5O/c18-17(19)7-10(8-17)6-14(25)23-16-22-13-5-4-11(9-20)21-15(13)24(16)12-2-1-3-12/h4-5,10,12H,1-3,6-8H2,(H,22,23,25)
InChIKeyHPRXMKMSLWVEEZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.40
Rot. Bonds4

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

N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 90448059) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID90448059
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC NameN-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide
SMILESN#Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3)n(C3CCC3)c2n1
InChIInChI=1S/C17H17F2N5O/c18-17(19)7-10(8-17)6-14(25)23-16-22-13-5-4-11(9-20)21-15(13)24(16)12-2-1-3-12/h4-5,10,12H,1-3,6-8H2,(H,22,23,25)
InChIKeyHPRXMKMSLWVEEZ-UHFFFAOYSA-N
XLogP3.40
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.40
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-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide (CID 90448059) is N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide is N#Cc1ccc2nc(NC(=O)CC3CC(F)(F)C3)n(C3CCC3)c2n1.
What is the InChIKey of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is HPRXMKMSLWVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-17(19)7-10(8-17)6-14(25)23-16-22-13-5-4-11(9-20)21-15(13)24(16)12-2-1-3-12/h4-5,10,12H,1-3,6-8H2,(H,22,23,25).
What are the key properties of N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide?
N-(5-cyano-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 345.35 g/mol, XLogP of 3.40, 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-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 90448059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).