6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid

C19H13F2N5O3S — CID 163221266

IUPAC6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid
SMILESCc1c(F)c(C(=O)O)c2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1
InChIInChI=1S/C19H13F2N5O3S/c1-6-12(8-5-22-26-15(8)13(14(6)21)18(28)29)10-2-3-11-17(23-10)30-19(24-11)25-16(27)7-4-9(7)20/h2-3,5,7,9H,4H2,1H3,(H,22,26)(H,28,29)(H,24,25,27)/t7-,9+/m1/s1
InChIKeyWZBKTEDJDOWZIV-APPZFPTMSA-N
MW429.41 g/mol
LogP3.68
Rot. Bonds4

About 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid

6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid (PubChem CID 163221266) has the molecular formula C19H13F2N5O3S and a molecular weight of 429.41 g/mol. Its IUPAC name is 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid
PubChem CID163221266
Molecular FormulaC19H13F2N5O3S
Molecular Weight429.41 g/mol
Exact Mass429.07
IUPAC Name6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid
SMILESCc1c(F)c(C(=O)O)c2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1
InChIInChI=1S/C19H13F2N5O3S/c1-6-12(8-5-22-26-15(8)13(14(6)21)18(28)29)10-2-3-11-17(23-10)30-19(24-11)25-16(27)7-4-9(7)20/h2-3,5,7,9H,4H2,1H3,(H,22,26)(H,28,29)(H,24,25,27)/t7-,9+/m1/s1
InChIKeyWZBKTEDJDOWZIV-APPZFPTMSA-N
XLogP3.68
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid?
The IUPAC name of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid (CID 163221266) is 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid?
The canonical SMILES for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid is Cc1c(F)c(C(=O)O)c2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1.
What is the InChIKey of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid?
The InChIKey is WZBKTEDJDOWZIV-APPZFPTMSA-N. The full InChI is InChI=1S/C19H13F2N5O3S/c1-6-12(8-5-22-26-15(8)13(14(6)21)18(28)29)10-2-3-11-17(23-10)30-19(24-11)25-16(27)7-4-9(7)20/h2-3,5,7,9H,4H2,1H3,(H,22,26)(H,28,29)(H,24,25,27)/t7-,9+/m1/s1.
What are the key properties of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid?
6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid has a molecular weight of 429.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-5-methyl-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 163221266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).