4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide

C23H25ClN8O — CID 57382825

IUPAC4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCn1nccc1-c1cn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc2c(NCCCN)n1
InChIInChI=1S/C23H25ClN8O/c1-31-19(7-10-28-31)18-13-32-20(12-27-22(32)21(30-18)26-9-2-8-25)14-3-6-16(17(24)11-14)23(33)29-15-4-5-15/h3,6-7,10-13,15H,2,4-5,8-9,25H2,1H3,(H,26,30)(H,29,33)
InChIKeyCIBOWLZWLPIQTF-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.10
Rot. Bonds8

About 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide

4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide (PubChem CID 57382825) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
PubChem CID57382825
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide
SMILESCn1nccc1-c1cn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc2c(NCCCN)n1
InChIInChI=1S/C23H25ClN8O/c1-31-19(7-10-28-31)18-13-32-20(12-27-22(32)21(30-18)26-9-2-8-25)14-3-6-16(17(24)11-14)23(33)29-15-4-5-15/h3,6-7,10-13,15H,2,4-5,8-9,25H2,1H3,(H,26,30)(H,29,33)
InChIKeyCIBOWLZWLPIQTF-UHFFFAOYSA-N
XLogP3.10
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380095
2-chloro-N-cyclopropyl-4-[6-(furan-3-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383248
N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976613
2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379866
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
2-chloro-N-cyclopropyl-4-[6-(3,6-dihydro-2H-pyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990784
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379867
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359
1-[2-chloro-4-[6-[4-(dimethylamino)phenyl]-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
CID 158962110
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide (CID 57382825) is 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide is Cn1nccc1-c1cn2c(-c3ccc(C(=O)NC4CC4)c(Cl)c3)cnc2c(NCCCN)n1.
What is the InChIKey of 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is CIBOWLZWLPIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c1-31-19(7-10-28-31)18-13-32-20(12-27-22(32)21(30-18)26-9-2-8-25)14-3-6-16(17(24)11-14)23(33)29-15-4-5-15/h3,6-7,10-13,15H,2,4-5,8-9,25H2,1H3,(H,26,30)(H,29,33).
What are the key properties of 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide?
4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 464.96 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-aminopropylamino)-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 57382825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).