3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C31H28N6O3 — CID 146574207

IUPAC3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(=O)Nc1cccc2c(-c3nc(C(=O)Nc4ccc(C)cc4)c4n3CCN(C(=O)c3ccc[nH]3)C4)cccc12
InChIInChI=1S/C31H28N6O3/c1-19-11-13-21(14-12-19)34-30(39)28-27-18-36(31(40)26-10-5-15-32-26)16-17-37(27)29(35-28)24-8-3-7-23-22(24)6-4-9-25(23)33-20(2)38/h3-15,32H,16-18H2,1-2H3,(H,33,38)(H,34,39)
InChIKeyCUEIJPKDDUMFHZ-UHFFFAOYSA-N
MW532.60 g/mol
LogP5.21
Rot. Bonds5

About 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 146574207) has the molecular formula C31H28N6O3 and a molecular weight of 532.60 g/mol. Its IUPAC name is 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID146574207
Molecular FormulaC31H28N6O3
Molecular Weight532.60 g/mol
Exact Mass532.22
IUPAC Name3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(=O)Nc1cccc2c(-c3nc(C(=O)Nc4ccc(C)cc4)c4n3CCN(C(=O)c3ccc[nH]3)C4)cccc12
InChIInChI=1S/C31H28N6O3/c1-19-11-13-21(14-12-19)34-30(39)28-27-18-36(31(40)26-10-5-15-32-26)16-17-37(27)29(35-28)24-8-3-7-23-22(24)6-4-9-25(23)33-20(2)38/h3-15,32H,16-18H2,1-2H3,(H,33,38)(H,34,39)
InChIKeyCUEIJPKDDUMFHZ-UHFFFAOYSA-N
XLogP5.21
TPSA112.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-3-[[6-(prop-2-enoylamino)naphthalen-1-yl]methyl]-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 146573255
5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine
CID 142523023
1-[(4-methylphenyl)carbamoyl]-3-(3-nitrophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 175024441
tert-butyl 1-[(4-methylphenyl)carbamoyl]-3-(3-nitrophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 137443571
7-(2-methyl-1,3-dihydropyrrole-2-carbonyl)-N-(oxan-4-yl)-3-[5-(prop-2-enoylamino)naphthalen-1-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 142523001
3-(4-chlorophenyl)-N-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20912086
N-naphthalen-1-yl-1H-pyrrole-2-carboxamide
CID 110461074
3-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]aniline
CID 142523031
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
(7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
CID 139356344
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010
7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66932336

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 146574207) is 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC(=O)Nc1cccc2c(-c3nc(C(=O)Nc4ccc(C)cc4)c4n3CCN(C(=O)c3ccc[nH]3)C4)cccc12.
What is the InChIKey of 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is CUEIJPKDDUMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O3/c1-19-11-13-21(14-12-19)34-30(39)28-27-18-36(31(40)26-10-5-15-32-26)16-17-37(27)29(35-28)24-8-3-7-23-22(24)6-4-9-25(23)33-20(2)38/h3-15,32H,16-18H2,1-2H3,(H,33,38)(H,34,39).
What are the key properties of 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetamidonaphthalen-1-yl)-N-(4-methylphenyl)-7-(1H-pyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 146574207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).