5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one

C17H14N6O3S — CID 140960328

IUPAC5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3cc4cnn(C5=CC(=O)NS5=O)c4cn3)cnc21
InChIInChI=1S/C17H14N6O3S/c1-22-2-3-26-14-5-10(7-19-17(14)22)12-4-11-8-20-23(13(11)9-18-12)16-6-15(24)21-27(16)25/h4-9H,2-3H2,1H3,(H,21,24)
InChIKeyWMIBEGWCTGZMGM-UHFFFAOYSA-N
MW382.41 g/mol
LogP0.91
Rot. Bonds2

About 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960328) has the molecular formula C17H14N6O3S and a molecular weight of 382.41 g/mol. Its IUPAC name is 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960328
Molecular FormulaC17H14N6O3S
Molecular Weight382.41 g/mol
Exact Mass382.08
IUPAC Name5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3cc4cnn(C5=CC(=O)NS5=O)c4cn3)cnc21
InChIInChI=1S/C17H14N6O3S/c1-22-2-3-26-14-5-10(7-19-17(14)22)12-4-11-8-20-23(13(11)9-18-12)16-6-15(24)21-27(16)25/h4-9H,2-3H2,1H3,(H,21,24)
InChIKeyWMIBEGWCTGZMGM-UHFFFAOYSA-N
XLogP0.91
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Related Compounds

5-[4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960428
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960349
5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960413
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960429
1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 140960313
7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 117000762
5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 158891387
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
7-(3-methoxyphenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 117000758
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960505
2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-N-pyridazin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279406

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960328) is 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one is CN1CCOc2cc(-c3cc4cnn(C5=CC(=O)NS5=O)c4cn3)cnc21.
What is the InChIKey of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is WMIBEGWCTGZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S/c1-22-2-3-26-14-5-10(7-19-17(14)22)12-4-11-8-20-23(13(11)9-18-12)16-6-15(24)21-27(16)25/h4-9H,2-3H2,1H3,(H,21,24).
What are the key properties of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 382.41 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).