N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C26H34N4O2 — CID 71172237

IUPACN-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)=Cc1c(C)cc2n1CC(C)(C(=O)NC1CCCCC1)N(Cc1ccccn1)C2=O
InChIInChI=1S/C26H34N4O2/c1-18(2)14-22-19(3)15-23-24(31)30(16-21-12-8-9-13-27-21)26(4,17-29(22)23)25(32)28-20-10-6-5-7-11-20/h8-9,12-15,20H,5-7,10-11,16-17H2,1-4H3,(H,28,32)
InChIKeyDIWXOHLSNDYCML-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.48
Rot. Bonds5

About N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 71172237) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID71172237
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)=Cc1c(C)cc2n1CC(C)(C(=O)NC1CCCCC1)N(Cc1ccccn1)C2=O
InChIInChI=1S/C26H34N4O2/c1-18(2)14-22-19(3)15-23-24(31)30(16-21-12-8-9-13-27-21)26(4,17-29(22)23)25(32)28-20-10-6-5-7-11-20/h8-9,12-15,20H,5-7,10-11,16-17H2,1-4H3,(H,28,32)
InChIKeyDIWXOHLSNDYCML-UHFFFAOYSA-N
XLogP4.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-7-methoxy-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523314
(6S)-N-cyclohexyl-2-(4-ethylphenyl)-6-methyl-4-oxo-5-(pyridin-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738910
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
N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523330
(3R)-N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704234
(3S)-2-benzyl-N-cyclohexyl-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739589
N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274165
(3S)-N-cycloheptyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740841
N-cyclohexyl-4,11-dimethyl-10-[(2-methylphenyl)methyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756485
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
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N-cyclopentyl-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
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CID 46273111

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 71172237) is N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC(C)=Cc1c(C)cc2n1CC(C)(C(=O)NC1CCCCC1)N(Cc1ccccn1)C2=O.
What is the InChIKey of N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is DIWXOHLSNDYCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-18(2)14-22-19(3)15-23-24(31)30(16-21-12-8-9-13-27-21)26(4,17-29(22)23)25(32)28-20-10-6-5-7-11-20/h8-9,12-15,20H,5-7,10-11,16-17H2,1-4H3,(H,28,32).
What are the key properties of N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,7-dimethyl-6-(2-methylprop-1-enyl)-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71172237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).