[2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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

C88H62N18O10S5 — CID 160940269

IUPAC[2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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
SMILESC/C=C\c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.Cc1cnc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccncc32)n1
InChIInChI=1S/C20H15N3O2S.C18H13N3O2S.2C17H12N4O2S.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;1-11-7-13-16(18-8-11)15(12-5-3-2-4-6-12)20-21(13)17-19-14(9-24-17)23-10-22;1-11-7-8-13-15(12-5-3-2-4-6-12)20-21(16(13)18-11)17-19-14(9-24-17)23-10-22;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;2*2-10H,1H3;1-10H/b6-2-;;;;
InChIKeySUKNFRGHGGEDLO-DWVRUWGVSA-N
MW1691.91 g/mol
LogP18.56
Rot. Bonds21

About [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 160940269) has the molecular formula C88H62N18O10S5 and a molecular weight of 1691.91 g/mol. Its IUPAC name is [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 CID160940269
Molecular FormulaC88H62N18O10S5
Molecular Weight1691.91 g/mol
Exact Mass1690.35
IUPAC Name[2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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
SMILESC/C=C\c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.Cc1cnc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.O=COc1csc(-n2nc(-c3ccccc3)c3ccncc32)n1
InChIInChI=1S/C20H15N3O2S.C18H13N3O2S.2C17H12N4O2S.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;1-11-7-13-16(18-8-11)15(12-5-3-2-4-6-12)20-21(13)17-19-14(9-24-17)23-10-22;1-11-7-8-13-15(12-5-3-2-4-6-12)20-21(16(13)18-11)17-19-14(9-24-17)23-10-22;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;2*2-10H,1H3;1-10H/b6-2-;;;;
InChIKeySUKNFRGHGGEDLO-DWVRUWGVSA-N
XLogP18.56
TPSA323.72 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.91
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 160940269) is [2-(6-methyl-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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.Cc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.Cc1cnc2c(-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 SUKNFRGHGGEDLO-DWVRUWGVSA-N. The full InChI is InChI=1S/C20H15N3O2S.C18H13N3O2S.2C17H12N4O2S.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;1-11-7-13-16(18-8-11)15(12-5-3-2-4-6-12)20-21(13)17-19-14(9-24-17)23-10-22;1-11-7-8-13-15(12-5-3-2-4-6-12)20-21(16(13)18-11)17-19-14(9-24-17)23-10-22;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;2*2-10H,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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 1691.91 g/mol, XLogP of 18.56, 21 rotatable bonds, 0 hydrogen bond donors, and 33 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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate;[2-(6-methyl-3-phenylpyrazolo[5,4-b]pyridin-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 160940269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).