9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]

C27H29N5OS — CID 166990315

IUPAC9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]
SMILESc1ccc2c(c1)CC1(CCN(c3cnc(Sc4ccnc5c4OCCC4(CC4)N5)cn3)CC1)C2
InChIInChI=1S/C27H29N5OS/c1-2-4-20-16-26(15-19(20)3-1)8-12-32(13-9-26)22-17-30-23(18-29-22)34-21-5-11-28-25-24(21)33-14-10-27(31-25)6-7-27/h1-5,11,17-18H,6-10,12-16H2,(H,28,31)
InChIKeyYXULXCQPAKDNKH-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.14
Rot. Bonds3

About 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]

9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane] (PubChem CID 166990315) has the molecular formula C27H29N5OS and a molecular weight of 471.63 g/mol. Its IUPAC name is 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane].

Molecular Properties

Compound Name9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]
PubChem CID166990315
Molecular FormulaC27H29N5OS
Molecular Weight471.63 g/mol
Exact Mass471.21
IUPAC Name9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]
SMILESc1ccc2c(c1)CC1(CCN(c3cnc(Sc4ccnc5c4OCCC4(CC4)N5)cn3)CC1)C2
InChIInChI=1S/C27H29N5OS/c1-2-4-20-16-26(15-19(20)3-1)8-12-32(13-9-26)22-17-30-23(18-29-22)34-21-5-11-28-25-24(21)33-14-10-27(31-25)6-7-27/h1-5,11,17-18H,6-10,12-16H2,(H,28,31)
InChIKeyYXULXCQPAKDNKH-UHFFFAOYSA-N
XLogP5.14
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane] with MolForge

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Related Compounds

1'-[5-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
CID 166781280
9-[5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]
CID 166990272
[6-(5-methylspiro[2,3-dihydropyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-9-yl)sulfanyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
CID 166990292
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
CID 145210242
3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine
CID 166781287
[5-methyl-6-(5-methylspiro[2,3-dihydropyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]-9-yl)sulfanyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
CID 166990111
8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-ene
CID 135194194
5-chloro-3-(oxolan-3-ylmethyl)-6-(5-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylquinazolin-4-one
CID 167307602
3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
CID 145210194
4-methyl-1-(5-phenylsulfanylpyrazin-2-yl)piperidin-4-amine
CID 175845610
5-chloro-3-(2-oxopropyl)-6-(5-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylquinazolin-4-one
CID 167307699

Frequently Asked Questions

What is the IUPAC name of 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]?
The IUPAC name of 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane] (CID 166990315) is 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane].
What is the SMILES notation for 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]?
The canonical SMILES for 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane] is c1ccc2c(c1)CC1(CCN(c3cnc(Sc4ccnc5c4OCCC4(CC4)N5)cn3)CC1)C2.
What is the InChIKey of 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]?
The InChIKey is YXULXCQPAKDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5OS/c1-2-4-20-16-26(15-19(20)3-1)8-12-32(13-9-26)22-17-30-23(18-29-22)34-21-5-11-28-25-24(21)33-14-10-27(31-25)6-7-27/h1-5,11,17-18H,6-10,12-16H2,(H,28,31).
What are the key properties of 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane]?
9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane] has a molecular weight of 471.63 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanylspiro[3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-4,1'-cyclopropane] is sourced from PubChem (CID 166990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).