1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C26H26F2N6O2 — CID 139570784

IUPAC1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C26H26F2N6O2/c1-32-13-21-24(31-26(34(21)14-22(32)35)15-6-8-36-9-7-15)17-4-3-5-20-18(17)10-19(25(27)28)23(30-20)16-11-29-33(2)12-16/h3-5,10-12,15,25H,6-9,13-14H2,1-2H3
InChIKeyOSUXCQFCPCWRCG-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.30
Rot. Bonds4

About 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570784) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570784
Molecular FormulaC26H26F2N6O2
Molecular Weight492.53 g/mol
Exact Mass492.21
IUPAC Name1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C26H26F2N6O2/c1-32-13-21-24(31-26(34(21)14-22(32)35)15-6-8-36-9-7-15)17-4-3-5-20-18(17)10-19(25(27)28)23(30-20)16-11-29-33(2)12-16/h3-5,10-12,15,25H,6-9,13-14H2,1-2H3
InChIKeyOSUXCQFCPCWRCG-UHFFFAOYSA-N
XLogP4.30
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570784) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is OSUXCQFCPCWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-32-13-21-24(31-26(34(21)14-22(32)35)15-6-8-36-9-7-15)17-4-3-5-20-18(17)10-19(25(27)28)23(30-20)16-11-29-33(2)12-16/h3-5,10-12,15,25H,6-9,13-14H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 492.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).