2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C27H34ClN3O2 — CID 71172235

IUPAC2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC/C=C\c1c(C)cc2n1CC(C)(C(=O)NC1CCC(C)CC1)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C27H34ClN3O2/c1-6-7-22-19(4)14-24-25(32)31(23-15-20(28)11-10-18(23)3)27(5,16-30(22)24)26(33)29-21-12-8-17(2)9-13-21/h6-7,10-11,14-15,17,21H,8-9,12-13,16H2,1-5H3,(H,29,33)/b7-6-
InChIKeyUSWYZCCYEBWWAA-SREVYHEPSA-N
MW468.04 g/mol
LogP5.91
Rot. Bonds4

About 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 71172235) has the molecular formula C27H34ClN3O2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID71172235
Molecular FormulaC27H34ClN3O2
Molecular Weight468.04 g/mol
Exact Mass467.23
IUPAC Name2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC/C=C\c1c(C)cc2n1CC(C)(C(=O)NC1CCC(C)CC1)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C27H34ClN3O2/c1-6-7-22-19(4)14-24-25(32)31(23-15-20(28)11-10-18(23)3)27(5,16-30(22)24)26(33)29-21-12-8-17(2)9-13-21/h6-7,10-11,14-15,17,21H,8-9,12-13,16H2,1-5H3,(H,29,33)/b7-6-
InChIKeyUSWYZCCYEBWWAA-SREVYHEPSA-N
XLogP5.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.04
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

10-(5-chloro-2-methylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521771
(11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737541
10-(2,5-dimethylphenyl)-4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514806
(6S)-5-(5-chloro-2-methylphenyl)-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738788
(11S)-10-(2,4-dimethylphenyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903497
2-[3-[benzyl(methyl)amino]propyl]-N-cyclohexyl-3,7-dimethyl-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172077
10-(3-chlorophenyl)-4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514793
methyl (6R)-5-(4-chloro-2-methylphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744574
(11R)-N-cycloheptyl-4,11-dimethyl-10-(2-methylphenyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721516
(11R)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-10-(2,5-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 93308636
(11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721356
(3R)-N-cyclooctyl-2-(2,3-dimethylphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704337

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 71172235) is 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C/C=C\c1c(C)cc2n1CC(C)(C(=O)NC1CCC(C)CC1)N(c1cc(Cl)ccc1C)C2=O.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is USWYZCCYEBWWAA-SREVYHEPSA-N. The full InChI is InChI=1S/C27H34ClN3O2/c1-6-7-22-19(4)14-24-25(32)31(23-15-20(28)11-10-18(23)3)27(5,16-30(22)24)26(33)29-21-12-8-17(2)9-13-21/h6-7,10-11,14-15,17,21H,8-9,12-13,16H2,1-5H3,(H,29,33)/b7-6-.
What are the key properties of 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 468.04 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-3,7-dimethyl-N-(4-methylcyclohexyl)-1-oxo-6-[(Z)-prop-1-enyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71172235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).