1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide

C18H19F2N7O — CID 139357738

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F2N7O/c1-21-18(28)11-3-2-6-26(9-11)14-4-5-22-17(25-14)13-7-24-15-8-23-12(16(19)20)10-27(13)15/h4-5,7-8,10-11,16H,2-3,6,9H2,1H3,(H,21,28)
InChIKeyFMSUCCRBAFAZLX-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 139357738) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
PubChem CID139357738
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H19F2N7O/c1-21-18(28)11-3-2-6-26(9-11)14-4-5-22-17(25-14)13-7-24-15-8-23-12(16(19)20)10-27(13)15/h4-5,7-8,10-11,16H,2-3,6,9H2,1H3,(H,21,28)
InChIKeyFMSUCCRBAFAZLX-UHFFFAOYSA-N
XLogP2.09
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-{[cis-4,4-difluoro-3,5-dimethylpiperidin-1-yl]carbonyl}propyl]-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-amine
CID 124172544
N-{(1S)-1-[(3,3-difluoropiperidin-1-yl)carbonyl]propyl}-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-amine
CID 124172622
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-4-YL}-N-[(pyrazin-2-YL)methyl]propanamide
CID 53188705
2-{1-[2-(Methylamino)-4-pyrimidinyl]-4-piperidyl}-N~1~-(2-pyrazinylmethyl)acetamide
CID 53189364
(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
CID 99829144
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 126443165
2-(1,3-dimethyl-2-oxo-6H-purin-7-yl)-N-[2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]acetamide
CID 123367006
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-[2-[(2S)-4-methyl-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide
CID 126614774
1-(3,3-Difluoropiperidin-1-yl)-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519517
1-(4,4-Difluoro-3,5-dimethylpiperidin-1-yl)-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519656
(2R)-1-(3,3-difluoropiperidin-1-yl)-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519669
1-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-2-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]butan-1-one
CID 134519678

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide (CID 139357738) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is FMSUCCRBAFAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-21-18(28)11-3-2-6-26(9-11)14-4-5-22-17(25-14)13-7-24-15-8-23-12(16(19)20)10-27(13)15/h4-5,7-8,10-11,16H,2-3,6,9H2,1H3,(H,21,28).
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 139357738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).