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

C19H19F2N7O — CID 139357990

IUPAC2-[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
SMILESO=C1CCCC2CN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CCN12
InChIInChI=1S/C19H19F2N7O/c20-18(21)13-11-28-14(8-24-16(28)9-23-13)19-22-5-4-15(25-19)26-6-7-27-12(10-26)2-1-3-17(27)29/h4-5,8-9,11-12,18H,1-3,6-7,10H2
InChIKeyBFUURQQBLLIXHB-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.33
Rot. Bonds3

About 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

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 (PubChem CID 139357990) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID139357990
Molecular FormulaC19H19F2N7O
Molecular Weight399.41 g/mol
Exact Mass399.16
IUPAC Name2-[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
SMILESO=C1CCCC2CN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CCN12
InChIInChI=1S/C19H19F2N7O/c20-18(21)13-11-28-14(8-24-16(28)9-23-13)19-22-5-4-15(25-19)26-6-7-27-12(10-26)2-1-3-17(27)29/h4-5,8-9,11-12,18H,1-3,6-7,10H2
InChIKeyBFUURQQBLLIXHB-UHFFFAOYSA-N
XLogP2.33
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 139357998
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
(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
3-[4-(5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 139358033
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
(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
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 139357693
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357711
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139358686

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCCC2CN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CCN12.
What is the InChIKey of 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?
The InChIKey is BFUURQQBLLIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c20-18(21)13-11-28-14(8-24-16(28)9-23-13)19-22-5-4-15(25-19)26-6-7-27-12(10-26)2-1-3-17(27)29/h4-5,8-9,11-12,18H,1-3,6-7,10H2.
What are the key properties of 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?
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 has a molecular weight of 399.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139357990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).