5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C20H19N5O3S — CID 140960234

IUPAC5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCCCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21
InChIInChI=1S/C20H19N5O3S/c1-24-6-2-3-7-28-17-9-14(11-21-20(17)24)13-4-5-16-15(8-13)12-22-25(16)19-10-18(26)23-29(19)27/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)
InChIKeyHHLPJJWURIOEDR-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.30
Rot. Bonds2

About 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960234) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960234
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCCCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21
InChIInChI=1S/C20H19N5O3S/c1-24-6-2-3-7-28-17-9-14(11-21-20(17)24)13-4-5-16-15(8-13)12-22-25(16)19-10-18(26)23-29(19)27/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,26)
InChIKeyHHLPJJWURIOEDR-UHFFFAOYSA-N
XLogP2.30
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Related Compounds

(2S)-3-indazol-1-yl-N-(3-methoxy-2-pyridinyl)-2-methylpropanamide
CID 124286632
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-(5-phenoxy-3-pyridinyl)indazole-1-carboxamide
CID 118383859
N-[5-[(1-ethylpiperidin-4-yl)methoxy]-2-pyridinyl]-5-fluoro-4-(6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)pyrimidin-2-amine
CID 137513242
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
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59619665
1-(1,4-Dimethylpyrazol-5-yl)-8-(5-ethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619672
2-[2-[5-(7-Aminopyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]phenoxy]acetamide
CID 90177864
4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 118657116
(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8lambda6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
CID 122434156
(16R)-19-amino-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8lambda6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
CID 122434160
(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile
CID 122434349

Frequently Asked Questions

What is the IUPAC name of 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960234) is 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is CN1CCCCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.
What is the InChIKey of 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is HHLPJJWURIOEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-24-6-2-3-7-28-17-9-14(11-21-20(17)24)13-4-5-16-15(8-13)12-22-25(16)19-10-18(26)23-29(19)27/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,26).
What are the key properties of 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 409.47 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(10-methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).