(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C24H28ClN5O3 — CID 95072775

IUPAC(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)cc1Cl
InChIInChI=1S/C24H28ClN5O3/c1-14-7-8-16(11-18(14)25)27-21(31)19-20-22(32)30(17-9-10-17)24(2,12-29(20)13-26-19)23(33)28-15-5-3-4-6-15/h7-8,11,13,15,17H,3-6,9-10,12H2,1-2H3,(H,27,31)(H,28,33)/t24-/m0/s1
InChIKeyLXJIQVJELZCSGJ-DEOSSOPVSA-N
MW469.97 g/mol
LogP3.53
Rot. Bonds5

About (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072775) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID95072775
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)cc1Cl
InChIInChI=1S/C24H28ClN5O3/c1-14-7-8-16(11-18(14)25)27-21(31)19-20-22(32)30(17-9-10-17)24(2,12-29(20)13-26-19)23(33)28-15-5-3-4-6-15/h7-8,11,13,15,17H,3-6,9-10,12H2,1-2H3,(H,27,31)(H,28,33)/t24-/m0/s1
InChIKeyLXJIQVJELZCSGJ-DEOSSOPVSA-N
XLogP3.53
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53007510
6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-[4-(trifluoromethoxy)phenyl]-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084237
(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072786
7-cyclopropyl-1-N-(3,4-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 71686678
(6S)-6-N-[(2-chlorophenyl)methyl]-1-N-cyclooctyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073016
(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072749
1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084072
(6R)-1-N-cyclohexyl-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072645
1-N-(3-chlorophenyl)-7-cyclopropyl-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084280
(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072510
(6R)-5-butyl-2-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744469
(6S)-7-cyclopropyl-1-N-(3,5-dimethylphenyl)-6-methyl-8-oxo-6-N-(3-propan-2-yloxypropyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072889

Frequently Asked Questions

What is the IUPAC name of (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072775) is (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NC2CCCC2)C3)cc1Cl.
What is the InChIKey of (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is LXJIQVJELZCSGJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-14-7-8-16(11-18(14)25)27-21(31)19-20-22(32)30(17-9-10-17)24(2,12-29(20)13-26-19)23(33)28-15-5-3-4-6-15/h7-8,11,13,15,17H,3-6,9-10,12H2,1-2H3,(H,27,31)(H,28,33)/t24-/m0/s1.
What are the key properties of (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 469.97 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-N-(3-chloro-4-methylphenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).