6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide

C22H18F2N4O2 — CID 10476545

IUPAC6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cc(Cc2ccc(F)c(F)c2)c(=O)n2cc(C(=O)NCc3ccncc3)[nH]c12
InChIInChI=1S/C22H18F2N4O2/c1-13-8-16(9-15-2-3-17(23)18(24)10-15)22(30)28-12-19(27-20(13)28)21(29)26-11-14-4-6-25-7-5-14/h2-8,10,12,27H,9,11H2,1H3,(H,26,29)
InChIKeyCFOXVWDRLIMAHN-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.13
Rot. Bonds5

About 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide

6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 10476545) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID10476545
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cc(Cc2ccc(F)c(F)c2)c(=O)n2cc(C(=O)NCc3ccncc3)[nH]c12
InChIInChI=1S/C22H18F2N4O2/c1-13-8-16(9-15-2-3-17(23)18(24)10-15)22(30)28-12-19(27-20(13)28)21(29)26-11-14-4-6-25-7-5-14/h2-8,10,12,27H,9,11H2,1H3,(H,26,29)
InChIKeyCFOXVWDRLIMAHN-UHFFFAOYSA-N
XLogP3.13
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-6-carboxamide
CID 91565875
6-[(3,4-difluorophenyl)methyl]-4-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 90815443
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
N-benzyl-6-[(4-fluorophenyl)methyl]-8-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyridine-2-carboxamide
CID 10024368
2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330341
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175967
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
5-chloro-3-(2,6-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 118722692
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 42785570

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide (CID 10476545) is 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide is Cc1cc(Cc2ccc(F)c(F)c2)c(=O)n2cc(C(=O)NCc3ccncc3)[nH]c12.
What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CFOXVWDRLIMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-13-8-16(9-15-2-3-17(23)18(24)10-15)22(30)28-12-19(27-20(13)28)21(29)26-11-14-4-6-25-7-5-14/h2-8,10,12,27H,9,11H2,1H3,(H,26,29).
What are the key properties of 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide?
6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-difluorophenyl)methyl]-8-methyl-5-oxo-N-(pyridin-4-ylmethyl)-1H-imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 10476545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).