N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

C21H21F2N3O3 — CID 155437415

IUPACN-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccc(F)c(F)c1C
InChIInChI=1S/C21H21F2N3O3/c1-12-16(4-3-15(22)20(12)23)25-21(27)14-10-26-11-17(13-5-7-29-8-6-13)24-19(26)9-18(14)28-2/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27)
InChIKeyLHIZJQYCXSUUIM-UHFFFAOYSA-N
MW401.41 g/mol
LogP4.08
Rot. Bonds4

About N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155437415) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155437415
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccc(F)c(F)c1C
InChIInChI=1S/C21H21F2N3O3/c1-12-16(4-3-15(22)20(12)23)25-21(27)14-10-26-11-17(13-5-7-29-8-6-13)24-19(26)9-18(14)28-2/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27)
InChIKeyLHIZJQYCXSUUIM-UHFFFAOYSA-N
XLogP4.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 155437415) is N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is COc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccc(F)c(F)c1C.
What is the InChIKey of N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LHIZJQYCXSUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-12-16(4-3-15(22)20(12)23)25-21(27)14-10-26-11-17(13-5-7-29-8-6-13)24-19(26)9-18(14)28-2/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155437415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).