N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C23H26N6O2 — CID 57379600

IUPACN-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCCN4CCCC4=O)nccn23)cc1
InChIInChI=1S/C23H26N6O2/c30-20-3-1-12-28(20)13-2-10-24-21-22-26-15-19(29(22)14-11-25-21)16-4-6-17(7-5-16)23(31)27-18-8-9-18/h4-7,11,14-15,18H,1-3,8-10,12-13H2,(H,24,25)(H,27,31)
InChIKeyPWCJBUVCSHKSTI-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.71
Rot. Bonds8

About N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57379600) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57379600
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCCN4CCCC4=O)nccn23)cc1
InChIInChI=1S/C23H26N6O2/c30-20-3-1-12-28(20)13-2-10-24-21-22-26-15-19(29(22)14-11-25-21)16-4-6-17(7-5-16)23(31)27-18-8-9-18/h4-7,11,14-15,18H,1-3,8-10,12-13H2,(H,24,25)(H,27,31)
InChIKeyPWCJBUVCSHKSTI-UHFFFAOYSA-N
XLogP2.71
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
CID 117080069
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
CID 161353773
N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]benzamide
CID 117092000
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
N-cyclopentyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 118273149
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
CID 117079484
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57379600) is N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCCCN4CCCC4=O)nccn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is PWCJBUVCSHKSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-20-3-1-12-28(20)13-2-10-24-21-22-26-15-19(29(22)14-11-25-21)16-4-6-17(7-5-16)23(31)27-18-8-9-18/h4-7,11,14-15,18H,1-3,8-10,12-13H2,(H,24,25)(H,27,31).
What are the key properties of N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 418.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57379600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).