N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

C27H22N8OS — CID 58163694

IUPACN-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)n1
InChIInChI=1S/C27H22N8OS/c1-17-24(34-14-6-5-9-23(34)29-17)22-16-37-27(31-22)30-19-12-10-18(11-13-19)26(36)32-25-21(28)15-35(33-25)20-7-3-2-4-8-20/h2-16H,28H2,1H3,(H,30,31)(H,32,33,36)
InChIKeyZNAGJHMCPLTFBU-UHFFFAOYSA-N
MW506.60 g/mol
LogP5.53
Rot. Bonds6

About N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 58163694) has the molecular formula C27H22N8OS and a molecular weight of 506.60 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
PubChem CID58163694
Molecular FormulaC27H22N8OS
Molecular Weight506.60 g/mol
Exact Mass506.16
IUPAC NameN-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)n1
InChIInChI=1S/C27H22N8OS/c1-17-24(34-14-6-5-9-23(34)29-17)22-16-37-27(31-22)30-19-12-10-18(11-13-19)26(36)32-25-21(28)15-35(33-25)20-7-3-2-4-8-20/h2-16H,28H2,1H3,(H,30,31)(H,32,33,36)
InChIKeyZNAGJHMCPLTFBU-UHFFFAOYSA-N
XLogP5.53
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163762
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 1117208
4-N,4-N-dimethyl-1-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,4-diamine;hydrobromide
CID 122509686
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 6968515
N-hydroxy-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 89219959
methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 58163718
1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methylphenyl)ethanone
CID 58163684
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 44602760
4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 58163873
4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(2-methylphenyl)benzamide;methyl 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate;N-methyl-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-methyl-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 162253822

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 58163694) is N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is Cc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)n1.
What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is ZNAGJHMCPLTFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8OS/c1-17-24(34-14-6-5-9-23(34)29-17)22-16-37-27(31-22)30-19-12-10-18(11-13-19)26(36)32-25-21(28)15-35(33-25)20-7-3-2-4-8-20/h2-16H,28H2,1H3,(H,30,31)(H,32,33,36).
What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?
N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 506.60 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 58163694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).