8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide

C23H27N7O3S — CID 154700439

IUPAC8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1-c1cnc2c(N)nc(C(=O)NC(C)CCCn3cccn3)cn12
InChIInChI=1S/C23H27N7O3S/c1-15-7-8-17(34(3,32)33)12-18(15)20-13-25-22-21(24)28-19(14-30(20)22)23(31)27-16(2)6-4-10-29-11-5-9-26-29/h5,7-9,11-14,16H,4,6,10H2,1-3H3,(H2,24,28)(H,27,31)
InChIKeyIJKCUQCZHXQSQC-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.49
Rot. Bonds8

About 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 154700439) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID154700439
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1-c1cnc2c(N)nc(C(=O)NC(C)CCCn3cccn3)cn12
InChIInChI=1S/C23H27N7O3S/c1-15-7-8-17(34(3,32)33)12-18(15)20-13-25-22-21(24)28-19(14-30(20)22)23(31)27-16(2)6-4-10-29-11-5-9-26-29/h5,7-9,11-14,16H,4,6,10H2,1-3H3,(H2,24,28)(H,27,31)
InChIKeyIJKCUQCZHXQSQC-UHFFFAOYSA-N
XLogP2.49
TPSA137.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
N-[[4-(Phenylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 66614012
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71765015
N-benzyl-N-methyl-3-({[2-(1H-pyrazol-1-yl)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 16191253
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71765014
N-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methyl]-1-phenylpyrazole-4-sulfonamide
CID 145992593
6-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164612733
N-benzyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 164618367
6-(1-methylpyrazol-4-yl)-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 164629150
5-Amino-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (2-methyl-4-o-tolyl-thiazol-5-yl)-amide
CID 58063108
N-[2-(4-methylphenyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66557145
c-Fms-IN-7
CID 67260931

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 154700439) is 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(S(C)(=O)=O)cc1-c1cnc2c(N)nc(C(=O)NC(C)CCCn3cccn3)cn12.
What is the InChIKey of 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is IJKCUQCZHXQSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c1-15-7-8-17(34(3,32)33)12-18(15)20-13-25-22-21(24)28-19(14-30(20)22)23(31)27-16(2)6-4-10-29-11-5-9-26-29/h5,7-9,11-14,16H,4,6,10H2,1-3H3,(H2,24,28)(H,27,31).
What are the key properties of 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(2-methyl-5-methylsulfonylphenyl)-N-(5-pyrazol-1-ylpentan-2-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 154700439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).