2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

C29H33N3O7 — CID 163257016

IUPAC2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2c(C(=O)O)n(-c3ccc(OC4CC4)cc3)c(=O)n2CC1COCc1ccccc1
InChIInChI=1S/C29H33N3O7/c1-29(2,3)39-28(36)30-16-24-25(26(33)34)32(20-9-11-22(12-10-20)38-23-13-14-23)27(35)31(24)15-21(30)18-37-17-19-7-5-4-6-8-19/h4-12,21,23H,13-18H2,1-3H3,(H,33,34)
InChIKeyGOOQLIHTBOAVDR-UHFFFAOYSA-N
MW535.60 g/mol
LogP4.21
Rot. Bonds8

About 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 163257016) has the molecular formula C29H33N3O7 and a molecular weight of 535.60 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
PubChem CID163257016
Molecular FormulaC29H33N3O7
Molecular Weight535.60 g/mol
Exact Mass535.23
IUPAC Name2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1Cc2c(C(=O)O)n(-c3ccc(OC4CC4)cc3)c(=O)n2CC1COCc1ccccc1
InChIInChI=1S/C29H33N3O7/c1-29(2,3)39-28(36)30-16-24-25(26(33)34)32(20-9-11-22(12-10-20)38-23-13-14-23)27(35)31(24)15-21(30)18-37-17-19-7-5-4-6-8-19/h4-12,21,23H,13-18H2,1-3H3,(H,33,34)
InChIKeyGOOQLIHTBOAVDR-UHFFFAOYSA-N
XLogP4.21
TPSA112.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid with MolForge

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Related Compounds

7-O-tert-butyl 1-O-ethyl 2-(4-cyclopropyloxyphenyl)-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate
CID 163257028
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
tert-butyl (2S,3R)-3-hydroxy-3-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 58149386
tert-butyl (2S)-2-[(4-phenylmethoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 68999596
1-O-tert-butyl 2-O-ethyl 4-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 156522640
2-O-benzyl 1-O-tert-butyl (2S)-4-phenoxypyrrolidine-1,2-dicarboxylate
CID 91327713
tert-butyl 4-(benzenesulfonyl)-2-ethenyl-5-(phenylmethoxymethyl)piperazine-1-carboxylate
CID 118366748
tert-butyl 2-(phenylmethoxymethyl)-4-quinolin-4-ylpiperazine-1-carboxylate
CID 24947445
tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 67373012
tert-butyl (1S,4S)-5-(4-phenylmethoxyphenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 166525680

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The IUPAC name of 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 163257016) is 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is CC(C)(C)OC(=O)N1Cc2c(C(=O)O)n(-c3ccc(OC4CC4)cc3)c(=O)n2CC1COCc1ccccc1.
What is the InChIKey of 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The InChIKey is GOOQLIHTBOAVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O7/c1-29(2,3)39-28(36)30-16-24-25(26(33)34)32(20-9-11-22(12-10-20)38-23-13-14-23)27(35)31(24)15-21(30)18-37-17-19-7-5-4-6-8-19/h4-12,21,23H,13-18H2,1-3H3,(H,33,34).
What are the key properties of 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 535.60 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxyphenyl)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-6-(phenylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 163257016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).