[7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite

C23H16ClFN6O3S2 — CID 155353632

IUPAC[7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3c2cnn3SF)s1
InChIInChI=1S/C23H16ClFN6O3S2/c1-33-19-5-3-2-4-14(19)17-10-26-9-8-15(17)21(32)28-22-29-30-23(35-22)34-12-13-6-7-18(24)20-16(13)11-27-31(20)36-25/h2-11H,12H2,1H3,(H,28,29,32)
InChIKeyDAZCZIRDWIETBU-UHFFFAOYSA-N
MW543.01 g/mol
LogP5.82
Rot. Bonds8

About [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite

[7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite (PubChem CID 155353632) has the molecular formula C23H16ClFN6O3S2 and a molecular weight of 543.01 g/mol. Its IUPAC name is [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite
PubChem CID155353632
Molecular FormulaC23H16ClFN6O3S2
Molecular Weight543.01 g/mol
Exact Mass542.04
IUPAC Name[7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3c2cnn3SF)s1
InChIInChI=1S/C23H16ClFN6O3S2/c1-33-19-5-3-2-4-14(19)17-10-26-9-8-15(17)21(32)28-22-29-30-23(35-22)34-12-13-6-7-18(24)20-16(13)11-27-31(20)36-25/h2-11H,12H2,1H3,(H,28,29,32)
InChIKeyDAZCZIRDWIETBU-UHFFFAOYSA-N
XLogP5.82
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.01
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite with MolForge

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Related Compounds

6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 175747250
[7-[[5-[[3-(2-Methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite
CID 155353687
[4-[[5-[[3-(2-Methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite
CID 155353860
3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 163390816
6-(2-fluoro-6-methoxyphenyl)-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 167102979
N-[5-(1H-indazol-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155342389
N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155342492
N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 155342565
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(cyanomethyl)-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155342667
N-(5-((7-chloro-1H-indazol-4-yl)methoxy)-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)isonicotinamide
CID 155353649
N-[5-(3H-1,3-benzodiazol-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353683
N-(5-((4-chlorobenzyl)oxy)-1,3,4-thiadiazol-2-yl)-3-(1H-indazol-4-yl)isonicotinamide
CID 155353827

Frequently Asked Questions

What is the IUPAC name of [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite?
The IUPAC name of [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite (CID 155353632) is [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite.
What is the SMILES notation for [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite?
The canonical SMILES for [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite is COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3c2cnn3SF)s1.
What is the InChIKey of [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite?
The InChIKey is DAZCZIRDWIETBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O3S2/c1-33-19-5-3-2-4-14(19)17-10-26-9-8-15(17)21(32)28-22-29-30-23(35-22)34-12-13-6-7-18(24)20-16(13)11-27-31(20)36-25/h2-11H,12H2,1H3,(H,28,29,32).
What are the key properties of [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite?
[7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite has a molecular weight of 543.01 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-4-[[5-[[3-(2-methoxyphenyl)pyridine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]oxymethyl]indazol-1-yl] thiohypofluorite is sourced from PubChem (CID 155353632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).