N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide

C24H31N7O4 — CID 144910141

IUPACN-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
SMILESCNCc1ccc(-c2cc3n(n2)C(C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)COC)c1
InChIInChI=1S/C24H31N7O4/c1-16-13-30(14-23(33)29(3)9-5-8-25)24(34)21-11-20(28-31(16)21)18-7-6-17(12-26-2)10-19(18)27-22(32)15-35-4/h6-7,10-11,16,26H,5,9,12-15H2,1-4H3,(H,27,32)
InChIKeyCLRYQPHIXNSNGK-UHFFFAOYSA-N
MW481.56 g/mol
LogP1.24
Rot. Bonds10

About N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide

N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide (PubChem CID 144910141) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
PubChem CID144910141
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC NameN-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
SMILESCNCc1ccc(-c2cc3n(n2)C(C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)COC)c1
InChIInChI=1S/C24H31N7O4/c1-16-13-30(14-23(33)29(3)9-5-8-25)24(34)21-11-20(28-31(16)21)18-7-6-17(12-26-2)10-19(18)27-22(32)15-35-4/h6-7,10-11,16,26H,5,9,12-15H2,1-4H3,(H,27,32)
InChIKeyCLRYQPHIXNSNGK-UHFFFAOYSA-N
XLogP1.24
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide (CID 144910141) is N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide is CNCc1ccc(-c2cc3n(n2)C(C)CN(CC(=O)N(C)CCC#N)C3=O)c(NC(=O)COC)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide?
The InChIKey is CLRYQPHIXNSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-16-13-30(14-23(33)29(3)9-5-8-25)24(34)21-11-20(28-31(16)21)18-7-6-17(12-26-2)10-19(18)27-22(32)15-35-4/h6-7,10-11,16,26H,5,9,12-15H2,1-4H3,(H,27,32).
What are the key properties of N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide?
N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide has a molecular weight of 481.56 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide is sourced from PubChem (CID 144910141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).