5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid

C19H16N6O4S — CID 164547127

IUPAC5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12
InChIInChI=1S/C19H16N6O4S/c1-10-14(4-11(5-20-10)19(27)28)23-17(26)13-7-22-25-8-16(30-18(13)25)12-6-21-24-2-3-29-9-15(12)24/h4-8H,2-3,9H2,1H3,(H,23,26)(H,27,28)
InChIKeyHZOSMDPACDTMHL-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.44
Rot. Bonds4

About 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid

5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 164547127) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid
PubChem CID164547127
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC Name5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12
InChIInChI=1S/C19H16N6O4S/c1-10-14(4-11(5-20-10)19(27)28)23-17(26)13-7-22-25-8-16(30-18(13)25)12-6-21-24-2-3-29-9-15(12)24/h4-8H,2-3,9H2,1H3,(H,23,26)(H,27,28)
InChIKeyHZOSMDPACDTMHL-UHFFFAOYSA-N
XLogP2.44
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid (CID 164547127) is 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12.
What is the InChIKey of 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is HZOSMDPACDTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c1-10-14(4-11(5-20-10)19(27)28)23-17(26)13-7-22-25-8-16(30-18(13)25)12-6-21-24-2-3-29-9-15(12)24/h4-8H,2-3,9H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid?
5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 424.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 164547127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).