2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C28H28N8OS — CID 59332240

IUPAC2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csc(-n3ncc4ccccc43)n2)c(N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C28H28N8OS/c1-19(2)20-7-8-22(25(15-20)34-11-13-35(14-12-34)26-17-29-9-10-30-26)32-27(37)23-18-38-28(33-23)36-24-6-4-3-5-21(24)16-31-36/h3-10,15-19H,11-14H2,1-2H3,(H,32,37)
InChIKeyGXBXUNFYLAMHAF-UHFFFAOYSA-N
MW524.65 g/mol
LogP4.97
Rot. Bonds6

About 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59332240) has the molecular formula C28H28N8OS and a molecular weight of 524.65 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59332240
Molecular FormulaC28H28N8OS
Molecular Weight524.65 g/mol
Exact Mass524.21
IUPAC Name2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csc(-n3ncc4ccccc43)n2)c(N2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C28H28N8OS/c1-19(2)20-7-8-22(25(15-20)34-11-13-35(14-12-34)26-17-29-9-10-30-26)32-27(37)23-18-38-28(33-23)36-24-6-4-3-5-21(24)16-31-36/h3-10,15-19H,11-14H2,1-2H3,(H,32,37)
InChIKeyGXBXUNFYLAMHAF-UHFFFAOYSA-N
XLogP4.97
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 59332240) is 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2csc(-n3ncc4ccccc43)n2)c(N2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GXBXUNFYLAMHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8OS/c1-19(2)20-7-8-22(25(15-20)34-11-13-35(14-12-34)26-17-29-9-10-30-26)32-27(37)23-18-38-28(33-23)36-24-6-4-3-5-21(24)16-31-36/h3-10,15-19H,11-14H2,1-2H3,(H,32,37).
What are the key properties of 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).