[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate

C19H12F3N5O3S — CID 67155829

IUPAC[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
SMILESCc1nc(C(=O)Nc2cc(-c3cncc(OC(=O)C(F)(F)F)c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C19H12F3N5O3S/c1-9-25-16(8-31-9)17(28)26-14-3-10(4-15-13(14)7-24-27-15)11-2-12(6-23-5-11)30-18(29)19(20,21)22/h2-8H,1H3,(H,24,27)(H,26,28)
InChIKeyXGOHOCMRIQHKRU-UHFFFAOYSA-N
MW447.40 g/mol
LogP4.11
Rot. Bonds4

About [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate

[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate (PubChem CID 67155829) has the molecular formula C19H12F3N5O3S and a molecular weight of 447.40 g/mol. Its IUPAC name is [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
PubChem CID67155829
Molecular FormulaC19H12F3N5O3S
Molecular Weight447.40 g/mol
Exact Mass447.06
IUPAC Name[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate
SMILESCc1nc(C(=O)Nc2cc(-c3cncc(OC(=O)C(F)(F)F)c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C19H12F3N5O3S/c1-9-25-16(8-31-9)17(28)26-14-3-10(4-15-13(14)7-24-27-15)11-2-12(6-23-5-11)30-18(29)19(20,21)22/h2-8H,1H3,(H,24,27)(H,26,28)
InChIKeyXGOHOCMRIQHKRU-UHFFFAOYSA-N
XLogP4.11
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

N-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 44539936
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
N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67319097
2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540399
2-methyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 53233323
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099
N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 58255815
2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540681
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
N-[6-(3-aminophenyl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 89122363
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
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 143903858

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The IUPAC name of [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate (CID 67155829) is [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate is Cc1nc(C(=O)Nc2cc(-c3cncc(OC(=O)C(F)(F)F)c3)cc3[nH]ncc23)cs1.
What is the InChIKey of [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
The InChIKey is XGOHOCMRIQHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O3S/c1-9-25-16(8-31-9)17(28)26-14-3-10(4-15-13(14)7-24-27-15)11-2-12(6-23-5-11)30-18(29)19(20,21)22/h2-8H,1H3,(H,24,27)(H,26,28).
What are the key properties of [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate?
[5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate has a molecular weight of 447.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-1H-indazol-6-yl]-3-pyridinyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67155829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).