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

C23H17ClN6O3S — CID 155353649

IUPACN-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3[nH]ncc23)s1
InChIInChI=1S/C23H17ClN6O3S/c1-32-19-5-3-2-4-14(19)17-10-25-9-8-15(17)21(31)27-22-29-30-23(34-22)33-12-13-6-7-18(24)20-16(13)11-26-28-20/h2-11H,12H2,1H3,(H,26,28)(H,27,29,31)
InChIKeyPMXYMWKRFXETIU-UHFFFAOYSA-N
MW492.95 g/mol
LogP4.97
Rot. Bonds7

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

N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 155353649) has the molecular formula C23H17ClN6O3S and a molecular weight of 492.95 g/mol. Its IUPAC name is N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID155353649
Molecular FormulaC23H17ClN6O3S
Molecular Weight492.95 g/mol
Exact Mass492.08
IUPAC NameN-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3[nH]ncc23)s1
InChIInChI=1S/C23H17ClN6O3S/c1-32-19-5-3-2-4-14(19)17-10-25-9-8-15(17)21(31)27-22-29-30-23(34-22)33-12-13-6-7-18(24)20-16(13)11-26-28-20/h2-11H,12H2,1H3,(H,26,28)(H,27,29,31)
InChIKeyPMXYMWKRFXETIU-UHFFFAOYSA-N
XLogP4.97
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.95
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (CID 155353649) is N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3[nH]ncc23)s1.
What is the InChIKey of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is PMXYMWKRFXETIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3S/c1-32-19-5-3-2-4-14(19)17-10-25-9-8-15(17)21(31)27-22-29-30-23(34-22)33-12-13-6-7-18(24)20-16(13)11-26-28-20/h2-11H,12H2,1H3,(H,26,28)(H,27,29,31).
What are the key properties of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 492.95 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 155353649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).