[2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate

C54H38N10O6S3 — CID 123729883

About [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate

[2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 123729883) has the molecular formula C54H38N10O6S3 and a molecular weight of 1019.16 g/mol. Its IUPAC name is [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate
• PubChem CID: 123729883
• Molecular Formula: C54H38N10O6S3
• Molecular Weight: 1019.16 g/mol
• Exact Mass: 1018.21
• IUPAC Name: [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate
• SMILES: C/C=C\c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccncc32)n1
• InChI: InChI=1S/C20H15N3O2S.C18H13N3O2S.C16H10N4O2S/c1-2-6-14-9-10-16-17(11-14)23(20-21-18(12-26-20)25-13-24)22-19(16)15-7-4-3-5-8-15;1-12-7-8-14-15(9-12)21(18-19-16(10-24-18)23-11-22)20-17(14)13-5-3-2-4-6-13;21-10-22-14-9-23-16(18-14)20-13-8-17-7-6-12(13)15(19-20)11-4-2-1-3-5-11/h2-13H,1H3;2-11H,1H3;1-10H/b6-2-
• InChIKey: BUZSNMODELQLBI-VHXUHSAGSA-N
• XLogP: 11.79
• TPSA: 183.92 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.16
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?

The IUPAC name of [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate (CID 123729883) is [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate.

What is the SMILES notation for [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?

The canonical SMILES for [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate is C/C=C\c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccncc32)n1.

What is the InChIKey of [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?

The InChIKey is BUZSNMODELQLBI-VHXUHSAGSA-N. The full InChI is InChI=1S/C20H15N3O2S.C18H13N3O2S.C16H10N4O2S/c1-2-6-14-9-10-16-17(11-14)23(20-21-18(12-26-20)25-13-24)22-19(16)15-7-4-3-5-8-15;1-12-7-8-14-15(9-12)21(18-19-16(10-24-18)23-11-22)20-17(14)13-5-3-2-4-6-13;21-10-22-14-9-23-16(18-14)20-13-8-17-7-6-12(13)15(19-20)11-4-2-1-3-5-11/h2-13H,1H3;2-11H,1H3;1-10H/b6-2-;;.

What are the key properties of [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?

[2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 1019.16 g/mol, XLogP of 11.79, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-[3-phenyl-6-[(Z)-prop-1-enyl]indazol-1-yl]-1,3-thiazol-4-yl] formate;[2-(3-phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 123729883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).