N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

C18H16N6O3S2 — CID 44539936

IUPACN-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cncc(NS(C)(=O)=O)c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C18H16N6O3S2/c1-10-21-17(9-28-10)18(25)22-15-4-11(5-16-14(15)8-20-23-16)12-3-13(7-19-6-12)24-29(2,26)27/h3-9,24H,1-2H3,(H,20,23)(H,22,25)
InChIKeyHGHUGFZVAUQIKV-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.01
Rot. Bonds5

About N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 44539936) has the molecular formula C18H16N6O3S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID44539936
Molecular FormulaC18H16N6O3S2
Molecular Weight428.50 g/mol
Exact Mass428.07
IUPAC NameN-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cncc(NS(C)(=O)=O)c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C18H16N6O3S2/c1-10-21-17(9-28-10)18(25)22-15-4-11(5-16-14(15)8-20-23-16)12-3-13(7-19-6-12)24-29(2,26)27/h3-9,24H,1-2H3,(H,20,23)(H,22,25)
InChIKeyHGHUGFZVAUQIKV-UHFFFAOYSA-N
XLogP3.01
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 44539936) is N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3cncc(NS(C)(=O)=O)c3)cc3[nH]ncc23)cs1.
What is the InChIKey of N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HGHUGFZVAUQIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S2/c1-10-21-17(9-28-10)18(25)22-15-4-11(5-16-14(15)8-20-23-16)12-3-13(7-19-6-12)24-29(2,26)27/h3-9,24H,1-2H3,(H,20,23)(H,22,25).
What are the key properties of N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44539936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).