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

C24H18N8OS2 — CID 58163805

IUPACN-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)s1
InChIInChI=1S/C24H18N8OS2/c25-16-13-32(15-6-2-1-3-7-15)30-22(16)29-23(33)19-9-10-21(35-19)28-24-27-17(14-34-24)18-12-26-20-8-4-5-11-31(18)20/h1-14H,25H2,(H,27,28)(H,29,30,33)
InChIKeyKPBCIVVSEWCVGF-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.28
Rot. Bonds6

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

N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide (PubChem CID 58163805) has the molecular formula C24H18N8OS2 and a molecular weight of 498.60 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
PubChem CID58163805
Molecular FormulaC24H18N8OS2
Molecular Weight498.60 g/mol
Exact Mass498.10
IUPAC NameN-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)s1
InChIInChI=1S/C24H18N8OS2/c25-16-13-32(15-6-2-1-3-7-15)30-22(16)29-23(33)19-9-10-21(35-19)28-24-27-17(14-34-24)18-12-26-20-8-4-5-11-31(18)20/h1-14H,25H2,(H,27,28)(H,29,30,33)
InChIKeyKPBCIVVSEWCVGF-UHFFFAOYSA-N
XLogP5.28
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 53469815
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
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US9777000, Example 1.3
CID 78322329

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?
The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide (CID 58163805) is N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide is Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)s1.
What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?
The InChIKey is KPBCIVVSEWCVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8OS2/c25-16-13-32(15-6-2-1-3-7-15)30-22(16)29-23(33)19-9-10-21(35-19)28-24-27-17(14-34-24)18-12-26-20-8-4-5-11-31(18)20/h1-14H,25H2,(H,27,28)(H,29,30,33).
What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide?
N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-phenylpyrazol-3-yl)-5-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 58163805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).