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

C26H20N8OS — CID 25152778

IUPACN-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1
InChIInChI=1S/C26H20N8OS/c27-20-15-34(19-6-2-1-3-7-19)32-24(20)31-25(35)17-9-11-18(12-10-17)29-26-30-21(16-36-26)22-14-28-23-8-4-5-13-33(22)23/h1-16H,27H2,(H,29,30)(H,31,32,35)
InChIKeyHSHYKPFCBOTXLU-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.22
Rot. Bonds6

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

N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 25152778) has the molecular formula C26H20N8OS and a molecular weight of 492.57 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[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-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID25152778
Molecular FormulaC26H20N8OS
Molecular Weight492.57 g/mol
Exact Mass492.15
IUPAC NameN-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1
InChIInChI=1S/C26H20N8OS/c27-20-15-34(19-6-2-1-3-7-19)32-24(20)31-25(35)17-9-11-18(12-10-17)29-26-30-21(16-36-26)22-14-28-23-8-4-5-13-33(22)23/h1-16H,27H2,(H,29,30)(H,31,32,35)
InChIKeyHSHYKPFCBOTXLU-UHFFFAOYSA-N
XLogP5.22
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.22
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)-4-[(4-imidazo[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-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide (CID 25152778) is N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[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-imidazo[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-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1.
What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is HSHYKPFCBOTXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8OS/c27-20-15-34(19-6-2-1-3-7-19)32-24(20)31-25(35)17-9-11-18(12-10-17)29-26-30-21(16-36-26)22-14-28-23-8-4-5-13-33(22)23/h1-16H,27H2,(H,29,30)(H,31,32,35).
What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide?
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 492.57 g/mol, XLogP of 5.22, 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-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 25152778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).