N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide

C22H15ClN6O2S — CID 155353827

IUPACN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1-c1cccc2[nH]ncc12
InChIInChI=1S/C22H15ClN6O2S/c23-14-6-4-13(5-7-14)12-31-22-29-28-21(32-22)26-20(30)16-8-9-24-10-17(16)15-2-1-3-19-18(15)11-25-27-19/h1-11H,12H2,(H,25,27)(H,26,28,30)
InChIKeyFKYBEXLFPDDDEB-UHFFFAOYSA-N
MW462.92 g/mol
LogP4.96
Rot. Bonds6

About N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide

N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide (PubChem CID 155353827) has the molecular formula C22H15ClN6O2S and a molecular weight of 462.92 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide
PubChem CID155353827
Molecular FormulaC22H15ClN6O2S
Molecular Weight462.92 g/mol
Exact Mass462.07
IUPAC NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1-c1cccc2[nH]ncc12
InChIInChI=1S/C22H15ClN6O2S/c23-14-6-4-13(5-7-14)12-31-22-29-28-21(32-22)26-20(30)16-8-9-24-10-17(16)15-2-1-3-19-18(15)11-25-27-19/h1-11H,12H2,(H,25,27)(H,26,28,30)
InChIKeyFKYBEXLFPDDDEB-UHFFFAOYSA-N
XLogP4.96
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide (CID 155353827) is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide is O=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1-c1cccc2[nH]ncc12.
What is the InChIKey of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide?
The InChIKey is FKYBEXLFPDDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O2S/c23-14-6-4-13(5-7-14)12-31-22-29-28-21(32-22)26-20(30)16-8-9-24-10-17(16)15-2-1-3-19-18(15)11-25-27-19/h1-11H,12H2,(H,25,27)(H,26,28,30).
What are the key properties of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide?
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide has a molecular weight of 462.92 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(1H-indazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155353827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).