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

C18H15N5O3S — CID 140960349

IUPAC5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2ccc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)nc21
InChIInChI=1S/C18H15N5O3S/c1-22-6-7-26-15-5-3-13(20-18(15)22)11-2-4-14-12(8-11)10-19-23(14)17-9-16(24)21-27(17)25/h2-5,8-10H,6-7H2,1H3,(H,21,24)
InChIKeyPYTPPRUMKAANRT-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.52
Rot. Bonds2

About 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

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 (PubChem CID 140960349) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960349
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2ccc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)nc21
InChIInChI=1S/C18H15N5O3S/c1-22-6-7-26-15-5-3-13(20-18(15)22)11-2-4-14-12(8-11)10-19-23(14)17-9-16(24)21-27(17)25/h2-5,8-10H,6-7H2,1H3,(H,21,24)
InChIKeyPYTPPRUMKAANRT-UHFFFAOYSA-N
XLogP1.52
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960421
1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
CID 140960313
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539
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-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960429
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960505
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
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
5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-methoxy-2-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(6-methylpyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(6-piperidin-1-yl-2-pyridinyl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[5-(trifluoromethyl)-2-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(trifluoromethyl)-2-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one
CID 158867051
5-[5-[(3S,4E,6E)-3-methyl-7-(2-oxa-7-azaspiro[3.4]octan-7-yl)octa-1,4,6-trien-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 163813996
6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346084

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCOc2ccc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)nc21.
What is the InChIKey of 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?
The InChIKey is PYTPPRUMKAANRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-22-6-7-26-15-5-3-13(20-18(15)22)11-2-4-14-12(8-11)10-19-23(14)17-9-16(24)21-27(17)25/h2-5,8-10H,6-7H2,1H3,(H,21,24).
What are the key properties of 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?
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 has a molecular weight of 381.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 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-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).