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

C30H24BrN9O3S2 — CID 66911513

IUPAC5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)c1.Cc1nc(C(N)=O)c(-c2cc(Br)cc3[nH]ncc23)s1
InChIInChI=1S/C18H15N5O2S.C12H9BrN4OS/c1-10-21-17(9-26-10)18(24)22-15-4-11(5-16-14(15)8-20-23-16)12-3-13(25-2)7-19-6-12;1-5-16-10(12(14)18)11(19-5)7-2-6(13)3-9-8(7)4-15-17-9/h3-9H,1-2H3,(H,20,23)(H,22,24);2-4H,1H3,(H2,14,18)(H,15,17)
InChIKeyFEXRZIUSSGYKTN-UHFFFAOYSA-N
MW702.62 g/mol
LogP6.51
Rot. Bonds6

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

5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66911513) has the molecular formula C30H24BrN9O3S2 and a molecular weight of 702.62 g/mol. Its IUPAC name is 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID66911513
Molecular FormulaC30H24BrN9O3S2
Molecular Weight702.62 g/mol
Exact Mass701.06
IUPAC Name5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)c1.Cc1nc(C(N)=O)c(-c2cc(Br)cc3[nH]ncc23)s1
InChIInChI=1S/C18H15N5O2S.C12H9BrN4OS/c1-10-21-17(9-26-10)18(24)22-15-4-11(5-16-14(15)8-20-23-16)12-3-13(25-2)7-19-6-12;1-5-16-10(12(14)18)11(19-5)7-2-6(13)3-9-8(7)4-15-17-9/h3-9H,1-2H3,(H,20,23)(H,22,24);2-4H,1H3,(H2,14,18)(H,15,17)
InChIKeyFEXRZIUSSGYKTN-UHFFFAOYSA-N
XLogP6.51
TPSA177.45 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.62
LogP ≤ 56.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
CID 67155829
N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 44539936
2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540399
N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67319097
2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 53233323
N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 58255815
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099
2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540681
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199378
2-(1H-indazol-4-ylamino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155542316
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 82703873
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255832

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 66911513) is 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is COc1cncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)c1.Cc1nc(C(N)=O)c(-c2cc(Br)cc3[nH]ncc23)s1.
What is the InChIKey of 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is FEXRZIUSSGYKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S.C12H9BrN4OS/c1-10-21-17(9-26-10)18(24)22-15-4-11(5-16-14(15)8-20-23-16)12-3-13(25-2)7-19-6-12;1-5-16-10(12(14)18)11(19-5)7-2-6(13)3-9-8(7)4-15-17-9/h3-9H,1-2H3,(H,20,23)(H,22,24);2-4H,1H3,(H2,14,18)(H,15,17).
What are the key properties of 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 702.62 g/mol, XLogP of 6.51, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide;N-[6-(5-methoxy-3-pyridinyl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66911513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).