(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C23H28FN5O3 — CID 93058815

IUPAC(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H28FN5O3/c1-3-29-21(31)19-18(20(30)25-12-15-7-6-8-16(24)11-15)26-14-28(19)13-23(29,2)22(32)27-17-9-4-5-10-17/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,25,30)(H,27,32)/t23-/m0/s1
InChIKeyVAPSUGVIUBTRMC-QHCPKHFHSA-N
MW441.51 g/mol
LogP2.25
Rot. Bonds6

About (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 93058815) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID93058815
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H28FN5O3/c1-3-29-21(31)19-18(20(30)25-12-15-7-6-8-16(24)11-15)26-14-28(19)13-23(29,2)22(32)27-17-9-4-5-10-17/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,25,30)(H,27,32)/t23-/m0/s1
InChIKeyVAPSUGVIUBTRMC-QHCPKHFHSA-N
XLogP2.25
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

(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
(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
(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-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084026
(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
(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
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
(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
methyl 6-(cyclohexylcarbamoyl)-7-[(4-ethylphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50758253
methyl (6S)-7-[(3-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92735015
(6R)-6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743457
6-N-cyclohexyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758462

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (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) is (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is VAPSUGVIUBTRMC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-3-29-21(31)19-18(20(30)25-12-15-7-6-8-16(24)11-15)26-14-28(19)13-23(29,2)22(32)27-17-9-4-5-10-17/h6-8,11,14,17H,3-5,9-10,12-13H2,1-2H3,(H,25,30)(H,27,32)/t23-/m0/s1.
What are the key properties of (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-cyclopentyl-7-ethyl-1-N-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 93058815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).