(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C27H27F2N7O4 — CID 122621179

IUPAC(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1c(CO)cccc1OC(F)F
InChIInChI=1S/C27H27F2N7O4/c1-33-24(38)20-6-5-16(9-22(20)36(33)14-21-17(15-37)3-2-4-23(21)40-25(28)29)18-10-30-26(31-11-18)34-7-8-35-19(13-34)12-32-27(35)39/h2-6,9-11,19,25,37H,7-8,12-15H2,1H3,(H,32,39)/t19-/m1/s1
InChIKeyOCEDDNZRWSRNPI-LJQANCHMSA-N
MW551.55 g/mol
LogP2.15
Rot. Bonds7

About (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 122621179) has the molecular formula C27H27F2N7O4 and a molecular weight of 551.55 g/mol. Its IUPAC name is (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID122621179
Molecular FormulaC27H27F2N7O4
Molecular Weight551.55 g/mol
Exact Mass551.21
IUPAC Name(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1c(CO)cccc1OC(F)F
InChIInChI=1S/C27H27F2N7O4/c1-33-24(38)20-6-5-16(9-22(20)36(33)14-21-17(15-37)3-2-4-23(21)40-25(28)29)18-10-30-26(31-11-18)34-7-8-35-19(13-34)12-32-27(35)39/h2-6,9-11,19,25,37H,7-8,12-15H2,1H3,(H,32,39)/t19-/m1/s1
InChIKeyOCEDDNZRWSRNPI-LJQANCHMSA-N
XLogP2.15
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.55
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 122621179) is (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cn1c(=O)c2ccc(-c3cnc(N4CCN5C(=O)NC[C@@H]5C4)nc3)cc2n1Cc1c(CO)cccc1OC(F)F.
What is the InChIKey of (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OCEDDNZRWSRNPI-LJQANCHMSA-N. The full InChI is InChI=1S/C27H27F2N7O4/c1-33-24(38)20-6-5-16(9-22(20)36(33)14-21-17(15-37)3-2-4-23(21)40-25(28)29)18-10-30-26(31-11-18)34-7-8-35-19(13-34)12-32-27(35)39/h2-6,9-11,19,25,37H,7-8,12-15H2,1H3,(H,32,39)/t19-/m1/s1.
What are the key properties of (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 551.55 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[5-[1-[[2-(difluoromethoxy)-6-(hydroxymethyl)phenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 122621179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).