(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C25H33N5O5 — CID 93058827

IUPAC(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H33N5O5/c1-5-30-23(32)21-20(22(31)26-13-16-12-18(34-3)10-11-19(16)35-4)27-15-29(21)14-25(30,2)24(33)28-17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3,(H,26,31)(H,28,33)/t25-/m0/s1
InChIKeyYAIMSXZSWZCMRW-VWLOTQADSA-N
MW483.57 g/mol
LogP2.12
Rot. Bonds8

About (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 93058827) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID93058827
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C25H33N5O5/c1-5-30-23(32)21-20(22(31)26-13-16-12-18(34-3)10-11-19(16)35-4)27-15-29(21)14-25(30,2)24(33)28-17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3,(H,26,31)(H,28,33)/t25-/m0/s1
InChIKeyYAIMSXZSWZCMRW-VWLOTQADSA-N
XLogP2.12
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-N-cyclopentyl-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98318050
(6R)-6-N-cyclopentyl-1-N-[(3,4-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058810
6-N-cyclopentyl-1-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53028930
6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084026
(6R)-6-N-cyclopentyl-7-ethyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058802
6-N-benzyl-1-N-[(2,5-dimethoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083863
methyl (6R)-6-(cyclopentylcarbamoyl)-7-[(2,4-dimethoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92742993
1-N-[(2,5-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083952
(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058815
(6R)-1-N-[(2-chlorophenyl)methyl]-6-N-cyclopentyl-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058839
(6S)-6-N-cyclopentyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 93058868
(6S)-6-N-cyclopentyl-5-ethyl-2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744206

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 93058827) is (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is YAIMSXZSWZCMRW-VWLOTQADSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-5-30-23(32)21-20(22(31)26-13-16-12-18(34-3)10-11-19(16)35-4)27-15-29(21)14-25(30,2)24(33)28-17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3,(H,26,31)(H,28,33)/t25-/m0/s1.
What are the key properties of (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-cyclopentyl-1-N-[(2,5-dimethoxyphenyl)methyl]-7-ethyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 93058827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).