N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

C24H28N6O3 — CID 67235347

IUPACN-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnc(CC(=O)NC5CCCC5)[nH]4)cc3n21
InChIInChI=1S/C24H28N6O3/c1-24(2)13-26-23(33)18-9-14-7-8-15(10-17(14)30(18)24)22(32)29-20-12-25-19(28-20)11-21(31)27-16-5-3-4-6-16/h7-10,12,16H,3-6,11,13H2,1-2H3,(H,25,28)(H,26,33)(H,27,31)(H,29,32)
InChIKeySOMYOIQMAHKENH-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (PubChem CID 67235347) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
PubChem CID67235347
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnc(CC(=O)NC5CCCC5)[nH]4)cc3n21
InChIInChI=1S/C24H28N6O3/c1-24(2)13-26-23(33)18-9-14-7-8-15(10-17(14)30(18)24)22(32)29-20-12-25-19(28-20)11-21(31)27-16-5-3-4-6-16/h7-10,12,16H,3-6,11,13H2,1-2H3,(H,25,28)(H,26,33)(H,27,31)(H,29,32)
InChIKeySOMYOIQMAHKENH-UHFFFAOYSA-N
XLogP2.70
TPSA120.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (CID 67235347) is N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cnc(CC(=O)NC5CCCC5)[nH]4)cc3n21.
What is the InChIKey of N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is SOMYOIQMAHKENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-24(2)13-26-23(33)18-9-14-7-8-15(10-17(14)30(18)24)22(32)29-20-12-25-19(28-20)11-21(31)27-16-5-3-4-6-16/h7-10,12,16H,3-6,11,13H2,1-2H3,(H,25,28)(H,26,33)(H,27,31)(H,29,32).
What are the key properties of N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopentylamino)-2-oxoethyl]-1H-imidazol-5-yl]-4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 67235347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).