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

C18H19F2N7O — CID 139357987

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N7O/c1-10-2-3-11(17(21)28)8-26(10)14-4-5-22-18(25-14)13-6-24-15-7-23-12(16(19)20)9-27(13)15/h4-7,9-11,16H,2-3,8H2,1H3,(H2,21,28)
InChIKeyIKGSCWMJPWABOC-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.21
Rot. Bonds4

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

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 139357987) 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]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
PubChem CID139357987
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]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N7O/c1-10-2-3-11(17(21)28)8-26(10)14-4-5-22-18(25-14)13-6-24-15-7-23-12(16(19)20)9-27(13)15/h4-7,9-11,16H,2-3,8H2,1H3,(H2,21,28)
InChIKeyIKGSCWMJPWABOC-UHFFFAOYSA-N
XLogP2.21
TPSA102.30 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344720
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 139357990
(3S)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343966
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine;2,2,2-trifluoroacetic acid
CID 139343986
6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone
CID 153330697
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 139357693

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (CID 139357987) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is IKGSCWMJPWABOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-10-2-3-11(17(21)28)8-26(10)14-4-5-22-18(25-14)13-6-24-15-7-23-12(16(19)20)9-27(13)15/h4-7,9-11,16H,2-3,8H2,1H3,(H2,21,28).
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.21, 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]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 139357987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).