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

C24H19ClN6O3S — CID 155342492

IUPACN-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3c2cnn3C)s1
InChIInChI=1S/C24H19ClN6O3S/c1-31-21-17(12-27-31)14(7-8-19(21)25)13-34-24-30-29-23(35-24)28-22(32)16-9-10-26-11-18(16)15-5-3-4-6-20(15)33-2/h3-12H,13H2,1-2H3,(H,28,29,32)
InChIKeyZUWWMGPXBKGCPG-UHFFFAOYSA-N
MW506.98 g/mol
LogP4.98
Rot. Bonds7

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

N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 155342492) has the molecular formula C24H19ClN6O3S and a molecular weight of 506.98 g/mol. Its IUPAC name is N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID155342492
Molecular FormulaC24H19ClN6O3S
Molecular Weight506.98 g/mol
Exact Mass506.09
IUPAC NameN-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3c2cnn3C)s1
InChIInChI=1S/C24H19ClN6O3S/c1-31-21-17(12-27-31)14(7-8-19(21)25)13-34-24-30-29-23(35-24)28-22(32)16-9-10-26-11-18(16)15-5-3-4-6-20(15)33-2/h3-12H,13H2,1-2H3,(H,28,29,32)
InChIKeyZUWWMGPXBKGCPG-UHFFFAOYSA-N
XLogP4.98
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.98
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[(7-chloro-1-methylindazol-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-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide (CID 155342492) is N-[5-[(7-chloro-1-methylindazol-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-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)c3c2cnn3C)s1.
What is the InChIKey of N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is ZUWWMGPXBKGCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3S/c1-31-21-17(12-27-31)14(7-8-19(21)25)13-34-24-30-29-23(35-24)28-22(32)16-9-10-26-11-18(16)15-5-3-4-6-20(15)33-2/h3-12H,13H2,1-2H3,(H,28,29,32).
What are the key properties of N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide?
N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 506.98 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(7-chloro-1-methylindazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 155342492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).