N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide

C17H20ClF2N5O — CID 90447896

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(F)(F)C1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C17H20ClF2N5O/c18-13-6-5-12-15(22-13)25(11-3-1-4-11)16(21-12)23-14(26)9-24-8-2-7-17(19,20)10-24/h5-6,11H,1-4,7-10H2,(H,21,23,26)
InChIKeyAUGRWNKZEXNBLA-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.48
Rot. Bonds4

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide (PubChem CID 90447896) has the molecular formula C17H20ClF2N5O and a molecular weight of 383.83 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide
PubChem CID90447896
Molecular FormulaC17H20ClF2N5O
Molecular Weight383.83 g/mol
Exact Mass383.13
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(F)(F)C1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C17H20ClF2N5O/c18-13-6-5-12-15(22-13)25(11-3-1-4-11)16(21-12)23-14(26)9-24-8-2-7-17(19,20)10-24/h5-6,11H,1-4,7-10H2,(H,21,23,26)
InChIKeyAUGRWNKZEXNBLA-UHFFFAOYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide (CID 90447896) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide is O=C(CN1CCCC(F)(F)C1)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide?
The InChIKey is AUGRWNKZEXNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF2N5O/c18-13-6-5-12-15(22-13)25(11-3-1-4-11)16(21-12)23-14(26)9-24-8-2-7-17(19,20)10-24/h5-6,11H,1-4,7-10H2,(H,21,23,26).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide has a molecular weight of 383.83 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(3,3-difluoropiperidin-1-yl)acetamide is sourced from PubChem (CID 90447896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).