2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

C20H16F2N6 — CID 139357693

IUPAC2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)c1cn2c(-c3nccc(N4CCc5ccccc5C4)n3)cnc2cn1
InChIInChI=1S/C20H16F2N6/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-7-5-17(26-20)27-8-6-13-3-1-2-4-14(13)11-27/h1-5,7,9-10,12,19H,6,8,11H2
InChIKeyWROVPBAOYSEJSB-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.69
Rot. Bonds3

About 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 139357693) has the molecular formula C20H16F2N6 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID139357693
Molecular FormulaC20H16F2N6
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)c1cn2c(-c3nccc(N4CCc5ccccc5C4)n3)cnc2cn1
InChIInChI=1S/C20H16F2N6/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-7-5-17(26-20)27-8-6-13-3-1-2-4-14(13)11-27/h1-5,7,9-10,12,19H,6,8,11H2
InChIKeyWROVPBAOYSEJSB-UHFFFAOYSA-N
XLogP3.69
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
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
1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone
CID 153330697
(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-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
(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-[2-(2-methylsulfonylethyl)-1,4-diazabicyclo[4.1.0]heptan-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359686
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357711
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139359425

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-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline (CID 139357693) is 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline is FC(F)c1cn2c(-c3nccc(N4CCc5ccccc5C4)n3)cnc2cn1.
What is the InChIKey of 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is WROVPBAOYSEJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-7-5-17(26-20)27-8-6-13-3-1-2-4-14(13)11-27/h1-5,7,9-10,12,19H,6,8,11H2.
What are the key properties of 2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline?
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 378.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-dihydro-1H-isoquinoline is sourced from PubChem (CID 139357693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).