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

C18H19F2N7O — CID 139358001

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide
SMILESCC1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1C(N)=O
InChIInChI=1S/C18H19F2N7O/c1-10-3-5-26(8-11(10)17(21)28)14-2-4-22-18(25-14)13-6-24-15-7-23-12(16(19)20)9-27(13)15/h2,4,6-7,9-11,16H,3,5,8H2,1H3,(H2,21,28)
InChIKeyATADPTDNMPLGBD-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.07
Rot. Bonds4

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

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide (PubChem CID 139358001) 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]-4-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide
PubChem CID139358001
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]-4-methylpiperidine-3-carboxamide
SMILESCC1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1C(N)=O
InChIInChI=1S/C18H19F2N7O/c1-10-3-5-26(8-11(10)17(21)28)14-2-4-22-18(25-14)13-6-24-15-7-23-12(16(19)20)9-27(13)15/h2,4,6-7,9-11,16H,3,5,8H2,1H3,(H2,21,28)
InChIKeyATADPTDNMPLGBD-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide (CID 139358001) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide is CC1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1C(N)=O.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide?
The InChIKey is ATADPTDNMPLGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-10-3-5-26(8-11(10)17(21)28)14-2-4-22-18(25-14)13-6-24-15-7-23-12(16(19)20)9-27(13)15/h2,4,6-7,9-11,16H,3,5,8H2,1H3,(H2,21,28).
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-4-methylpiperidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.07, 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]-4-methylpiperidine-3-carboxamide is sourced from PubChem (CID 139358001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).