N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide

C27H34N4O3 — CID 71172246

IUPACN-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cn3c(-c4ccccc4)ccc3c(=O)n2CCN2CCOCC2)CC1
InChIInChI=1S/C27H34N4O3/c1-20-7-9-22(10-8-20)28-26(32)25-19-31-23(21-5-3-2-4-6-21)11-12-24(31)27(33)30(25)14-13-29-15-17-34-18-16-29/h2-6,11-12,19-20,22H,7-10,13-18H2,1H3,(H,28,32)
InChIKeyIFZVERJERRHGQZ-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.41
Rot. Bonds6

About N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide

N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 71172246) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID71172246
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cn3c(-c4ccccc4)ccc3c(=O)n2CCN2CCOCC2)CC1
InChIInChI=1S/C27H34N4O3/c1-20-7-9-22(10-8-20)28-26(32)25-19-31-23(21-5-3-2-4-6-21)11-12-24(31)27(33)30(25)14-13-29-15-17-34-18-16-29/h2-6,11-12,19-20,22H,7-10,13-18H2,1H3,(H,28,32)
InChIKeyIFZVERJERRHGQZ-UHFFFAOYSA-N
XLogP3.41
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide (CID 71172246) is N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide is CC1CCC(NC(=O)c2cn3c(-c4ccccc4)ccc3c(=O)n2CCN2CCOCC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is IFZVERJERRHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-20-7-9-22(10-8-20)28-26(32)25-19-31-23(21-5-3-2-4-6-21)11-12-24(31)27(33)30(25)14-13-29-15-17-34-18-16-29/h2-6,11-12,19-20,22H,7-10,13-18H2,1H3,(H,28,32).
What are the key properties of N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide?
N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71172246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).