N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide

C24H19ClN6O3S — CID 155342565

IUPACN-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)c3[nH]ncc23)s1
InChIInChI=1S/C24H19ClN6O3S/c1-13-9-16(15-5-3-4-6-20(15)33-2)18(10-26-13)22(32)28-23-30-31-24(35-23)34-12-14-7-8-19(25)21-17(14)11-27-29-21/h3-11H,12H2,1-2H3,(H,27,29)(H,28,30,32)
InChIKeyLRMKXDACTXDDSU-UHFFFAOYSA-N
MW506.98 g/mol
LogP5.28
Rot. Bonds7

About N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide

N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 155342565) has the molecular formula C24H19ClN6O3S and a molecular weight of 506.98 g/mol. Its IUPAC name is N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID155342565
Molecular FormulaC24H19ClN6O3S
Molecular Weight506.98 g/mol
Exact Mass506.09
IUPAC NameN-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)c3[nH]ncc23)s1
InChIInChI=1S/C24H19ClN6O3S/c1-13-9-16(15-5-3-4-6-20(15)33-2)18(10-26-13)22(32)28-23-30-31-24(35-23)34-12-14-7-8-19(25)21-17(14)11-27-29-21/h3-11H,12H2,1-2H3,(H,27,29)(H,28,30,32)
InChIKeyLRMKXDACTXDDSU-UHFFFAOYSA-N
XLogP5.28
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.98
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 155342565) is N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=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]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is LRMKXDACTXDDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3S/c1-13-9-16(15-5-3-4-6-20(15)33-2)18(10-26-13)22(32)28-23-30-31-24(35-23)34-12-14-7-8-19(25)21-17(14)11-27-29-21/h3-11H,12H2,1-2H3,(H,27,29)(H,28,30,32).
What are the key properties of N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-[5-[(7-chloro-1H-indazol-4-yl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 506.98 g/mol, XLogP of 5.28, 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]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155342565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).