N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

C21H25N5O2 — CID 67975867

IUPACN-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCOCCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C21H25N5O2/c1-14-12-15(4-7-17(14)21(27)25-16-5-6-16)18-13-24-20-19(22-8-3-11-28-2)23-9-10-26(18)20/h4,7,9-10,12-13,16H,3,5-6,8,11H2,1-2H3,(H,22,23)(H,25,27)
InChIKeyFZFQASDVLJCWMH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.05
Rot. Bonds8

About N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (PubChem CID 67975867) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
PubChem CID67975867
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCOCCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C21H25N5O2/c1-14-12-15(4-7-17(14)21(27)25-16-5-6-16)18-13-24-20-19(22-8-3-11-28-2)23-9-10-26(18)20/h4,7,9-10,12-13,16H,3,5-6,8,11H2,1-2H3,(H,22,23)(H,25,27)
InChIKeyFZFQASDVLJCWMH-UHFFFAOYSA-N
XLogP3.05
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.05
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

2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126474461
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-hydroxybenzamide
CID 67973616
N-cyclopropyl-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-6-(2-methylphenoxy)imidazo[1,2-a]pyridin-8-yl]-(2-methoxyethyl)carbamic acid
CID 70818165
N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379600
2-chloro-N-cyclopropyl-4-[8-[(3-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379859
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691900

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (CID 67975867) is N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is COCCCNc1nccn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The InChIKey is FZFQASDVLJCWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-12-15(4-7-17(14)21(27)25-16-5-6-16)18-13-24-20-19(22-8-3-11-28-2)23-9-10-26(18)20/h4,7,9-10,12-13,16H,3,5-6,8,11H2,1-2H3,(H,22,23)(H,25,27).
What are the key properties of N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.05, 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-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 67975867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).