5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C20H17N5O3S — CID 140960271

IUPAC5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C4CC4)ccc32)S(=O)N1
InChIInChI=1S/C20H17N5O3S/c26-18-9-19(29(27)23-18)25-16-4-1-12(7-14(16)11-22-25)13-8-17-20(21-10-13)24(5-6-28-17)15-2-3-15/h1,4,7-11,15H,2-3,5-6H2,(H,23,26)
InChIKeyBOOHYUJMCPAPAK-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.05
Rot. Bonds3

About 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960271) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960271
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C4CC4)ccc32)S(=O)N1
InChIInChI=1S/C20H17N5O3S/c26-18-9-19(29(27)23-18)25-16-4-1-12(7-14(16)11-22-25)13-8-17-20(21-10-13)24(5-6-28-17)15-2-3-15/h1,4,7-11,15H,2-3,5-6H2,(H,23,26)
InChIKeyBOOHYUJMCPAPAK-UHFFFAOYSA-N
XLogP2.05
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 138715394
1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(6-methyl-5-(propan-2-yloxy)pyridin-3-yl)-1H,2H,3H-imidazo(4,5-c)quinolin-2-one
CID 59620037
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)indazole-1-carboxamide
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5-[5-[6-(Difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960227
5-[5-[4-(2,2-Difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960580
4-Methyl-7-(6-piperazin-1-ylindazol-1-yl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
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CID 49793270
1-(1,3-Dimethylpyrazol-4-yl)-8-(6-ethyl-5-propan-2-yloxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 49834968
2-[4-[8-(5-ethoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-3-methylpyrazol-1-yl]-N,N-dimethylacetamide
CID 49835520
N-ethyl-N-methyl-2-[3-methyl-4-[3-methyl-2-oxo-8-(5-propan-2-yloxy-3-pyridinyl)imidazo[4,5-c]quinolin-1-yl]pyrazol-1-yl]acetamide
CID 49835565
8-(5-Cyclopropylmethoxy-pyridin-3-yl)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
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8-(5-Ethoxy-3-pyridinyl)-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960271) is 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C4CC4)ccc32)S(=O)N1.
What is the InChIKey of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is BOOHYUJMCPAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-18-9-19(29(27)23-18)25-16-4-1-12(7-14(16)11-22-25)13-8-17-20(21-10-13)24(5-6-28-17)15-2-3-15/h1,4,7-11,15H,2-3,5-6H2,(H,23,26).
What are the key properties of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 407.46 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).