3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide

C23H15ClFN5OS — CID 134522042

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide
SMILESO=C(NCc1cnsn1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H15ClFN5OS/c24-20-4-2-1-3-18(20)22-19-10-5-14(23(31)26-12-16-13-27-32-29-16)11-21(19)30(28-22)17-8-6-15(25)7-9-17/h1-11,13H,12H2,(H,26,31)
InChIKeyCMDKQFAAXJYWIE-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.27
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide (PubChem CID 134522042) has the molecular formula C23H15ClFN5OS and a molecular weight of 463.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide
PubChem CID134522042
Molecular FormulaC23H15ClFN5OS
Molecular Weight463.93 g/mol
Exact Mass463.07
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide
SMILESO=C(NCc1cnsn1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H15ClFN5OS/c24-20-4-2-1-3-18(20)22-19-10-5-14(23(31)26-12-16-13-27-32-29-16)11-21(19)30(28-22)17-8-6-15(25)7-9-17/h1-11,13H,12H2,(H,26,31)
InChIKeyCMDKQFAAXJYWIE-UHFFFAOYSA-N
XLogP5.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
CID 153447161
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
CID 134522059
3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522594
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(4-hydroxy-1,1-dioxothiolan-3-yl)indazole-6-carboxamide
CID 134522049
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
CID 146220196
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522119
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone
CID 147890998
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-[(1R,2R)-2-hydroxycyclopentyl]ethanone
CID 159605487
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-3-cyclopropyl-4-hydroxybutan-1-one
CID 146976002
(3S,4R)-1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-4-hydroxy-3-(hydroxymethyl)-4-phenylbutan-1-one
CID 160646321
methyl 4-[3-(2-chlorophenyl)-6-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]indazol-1-yl]benzoate
CID 134522546
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 46032155

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide (CID 134522042) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide is O=C(NCc1cnsn1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide?
The InChIKey is CMDKQFAAXJYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5OS/c24-20-4-2-1-3-18(20)22-19-10-5-14(23(31)26-12-16-13-27-32-29-16)11-21(19)30(28-22)17-8-6-15(25)7-9-17/h1-11,13H,12H2,(H,26,31).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)indazole-6-carboxamide is sourced from PubChem (CID 134522042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).