N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide

C23H18N6O3S — CID 155353683

IUPACN-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc3cn[nH]c23)s1
InChIInChI=1S/C23H18N6O3S/c1-31-19-8-3-2-7-16(19)18-12-24-10-9-17(18)21(30)26-22-28-29-23(33-22)32-13-15-6-4-5-14-11-25-27-20(14)15/h2-12H,13H2,1H3,(H,25,27)(H,26,28,30)
InChIKeyBDGHRXAUQGGMSQ-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.32
Rot. Bonds7

About N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide

N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 155353683) has the molecular formula C23H18N6O3S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID155353683
Molecular FormulaC23H18N6O3S
Molecular Weight458.50 g/mol
Exact Mass458.12
IUPAC NameN-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc3cn[nH]c23)s1
InChIInChI=1S/C23H18N6O3S/c1-31-19-8-3-2-7-16(19)18-12-24-10-9-17(18)21(30)26-22-28-29-23(33-22)32-13-15-6-4-5-14-11-25-27-20(14)15/h2-12H,13H2,1H3,(H,25,27)(H,26,28,30)
InChIKeyBDGHRXAUQGGMSQ-UHFFFAOYSA-N
XLogP4.32
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (CID 155353683) is N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2cccc3cn[nH]c23)s1.
What is the InChIKey of N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is BDGHRXAUQGGMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S/c1-31-19-8-3-2-7-16(19)18-12-24-10-9-17(18)21(30)26-22-28-29-23(33-22)32-13-15-6-4-5-14-11-25-27-20(14)15/h2-12H,13H2,1H3,(H,25,27)(H,26,28,30).
What are the key properties of N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indazol-7-ylmethoxy)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 155353683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).