N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide

C27H22N8OS — CID 25152574

IUPACN-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1sc(Nc2cccc(C(=O)Nc3nn(-c4ccccc4)cc3N)c2)nc1-c1cnc2ccccn12
InChIInChI=1S/C27H22N8OS/c1-17-24(22-15-29-23-12-5-6-13-34(22)23)31-27(37-17)30-19-9-7-8-18(14-19)26(36)32-25-21(28)16-35(33-25)20-10-3-2-4-11-20/h2-16H,28H2,1H3,(H,30,31)(H,32,33,36)
InChIKeyGGEYOEFPUPZUKU-UHFFFAOYSA-N
MW506.60 g/mol
LogP5.53
Rot. Bonds6

About N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide

N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 25152574) 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)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID25152574
Molecular FormulaC27H22N8OS
Molecular Weight506.60 g/mol
Exact Mass506.16
IUPAC NameN-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1sc(Nc2cccc(C(=O)Nc3nn(-c4ccccc4)cc3N)c2)nc1-c1cnc2ccccn12
InChIInChI=1S/C27H22N8OS/c1-17-24(22-15-29-23-12-5-6-13-34(22)23)31-27(37-17)30-19-9-7-8-18(14-19)26(36)32-25-21(28)16-35(33-25)20-10-3-2-4-11-20/h2-16H,28H2,1H3,(H,30,31)(H,32,33,36)
InChIKeyGGEYOEFPUPZUKU-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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide (CID 25152574) is N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide is Cc1sc(Nc2cccc(C(=O)Nc3nn(-c4ccccc4)cc3N)c2)nc1-c1cnc2ccccn12.
What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is GGEYOEFPUPZUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8OS/c1-17-24(22-15-29-23-12-5-6-13-34(22)23)31-27(37-17)30-19-9-7-8-18(14-19)26(36)32-25-21(28)16-35(33-25)20-10-3-2-4-11-20/h2-16H,28H2,1H3,(H,30,31)(H,32,33,36).
What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide?
N-(4-amino-1-phenylpyrazol-3-yl)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-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)-3-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 25152574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).