N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C29H34N4O3 — CID 50756917

IUPACN-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C29H34N4O3/c1-29(28(35)30-23-7-3-4-8-23)20-32-25-9-5-2-6-22(25)18-26(32)27(34)33(29)24-12-10-21(11-13-24)19-31-14-16-36-17-15-31/h2,5-6,9-13,18,23H,3-4,7-8,14-17,19-20H2,1H3,(H,30,35)
InChIKeyGJGMKOONIIQBEG-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.95
Rot. Bonds5

About N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756917) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756917
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C29H34N4O3/c1-29(28(35)30-23-7-3-4-8-23)20-32-25-9-5-2-6-22(25)18-26(32)27(34)33(29)24-12-10-21(11-13-24)19-31-14-16-36-17-15-31/h2,5-6,9-13,18,23H,3-4,7-8,14-17,19-20H2,1H3,(H,30,35)
InChIKeyGJGMKOONIIQBEG-UHFFFAOYSA-N
XLogP3.95
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756917) is N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is GJGMKOONIIQBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-29(28(35)30-23-7-3-4-8-23)20-32-25-9-5-2-6-22(25)18-26(32)27(34)33(29)24-12-10-21(11-13-24)19-31-14-16-36-17-15-31/h2,5-6,9-13,18,23H,3-4,7-8,14-17,19-20H2,1H3,(H,30,35).
What are the key properties of N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).