N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

C20H18F4N4O3 — CID 154655969

IUPACN-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(OC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18F4N4O3/c21-17(22)13-2-1-3-14(26-13)19(29)25-12-8-16(31-20(23)24)18-27-15(10-28(18)9-12)11-4-6-30-7-5-11/h1-3,8-11,17,20H,4-7H2,(H,25,29)
InChIKeyCVRZEJFKQMHSRV-UHFFFAOYSA-N
MW438.38 g/mol
LogP4.41
Rot. Bonds6

About N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 154655969) has the molecular formula C20H18F4N4O3 and a molecular weight of 438.38 g/mol. Its IUPAC name is N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
PubChem CID154655969
Molecular FormulaC20H18F4N4O3
Molecular Weight438.38 g/mol
Exact Mass438.13
IUPAC NameN-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(OC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18F4N4O3/c21-17(22)13-2-1-3-14(26-13)19(29)25-12-8-16(31-20(23)24)18-27-15(10-28(18)9-12)11-4-6-30-7-5-11/h1-3,8-11,17,20H,4-7H2,(H,25,29)
InChIKeyCVRZEJFKQMHSRV-UHFFFAOYSA-N
XLogP4.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CA-4948
CID 118224238
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 164536645
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 71724971
N-(2,2-difluoroethyl)-1-[[6-(dimethylamino)-5-methyl-pyrimidin-4-yl]methyl]-6-methoxy-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467161
N-(2,2-difluoroethyl)-1-[[6-(difluoromethoxy)-5-methyl-pyrimidin-4-yl]methyl]-6-methoxy-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467307
N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-2-carboxamide
CID 146282510
N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282513
1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea
CID 167117085
N-[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]-5-methoxypyridine-2-carboxamide
CID 117902661
6-(difluoromethyl)-N-[7-ethoxy-2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655942

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (CID 154655969) is N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc(OC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1.
What is the InChIKey of N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is CVRZEJFKQMHSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O3/c21-17(22)13-2-1-3-14(26-13)19(29)25-12-8-16(31-20(23)24)18-27-15(10-28(18)9-12)11-4-6-30-7-5-11/h1-3,8-11,17,20H,4-7H2,(H,25,29).
What are the key properties of N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 438.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(difluoromethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).