N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C23H23F2N5O2 — CID 118386007

IUPACN-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC3CNCC(C#N)C3)n2c1
InChIInChI=1S/C23H23F2N5O2/c1-13-6-20(32-12-17-18(24)4-3-5-19(17)25)22-28-14(2)21(30(22)11-13)23(31)29-16-7-15(8-26)9-27-10-16/h3-6,11,15-16,27H,7,9-10,12H2,1-2H3,(H,29,31)
InChIKeyWPDJNFAIZVSVOR-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.04
Rot. Bonds5

About N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118386007) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118386007
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC NameN-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC3CNCC(C#N)C3)n2c1
InChIInChI=1S/C23H23F2N5O2/c1-13-6-20(32-12-17-18(24)4-3-5-19(17)25)22-28-14(2)21(30(22)11-13)23(31)29-16-7-15(8-26)9-27-10-16/h3-6,11,15-16,27H,7,9-10,12H2,1-2H3,(H,29,31)
InChIKeyWPDJNFAIZVSVOR-UHFFFAOYSA-N
XLogP3.04
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 118386007) is N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC3CNCC(C#N)C3)n2c1.
What is the InChIKey of N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WPDJNFAIZVSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-13-6-20(32-12-17-18(24)4-3-5-19(17)25)22-28-14(2)21(30(22)11-13)23(31)29-16-7-15(8-26)9-27-10-16/h3-6,11,15-16,27H,7,9-10,12H2,1-2H3,(H,29,31).
What are the key properties of N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).