[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol

C21H22ClN5O2S — CID 146553917

IUPAC[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol
SMILESOCc1nccc(Sc2ccc3nc(N4CCC5(CCOC5)CC4)cnc3n2)c1Cl
InChIInChI=1S/C21H22ClN5O2S/c22-19-15(12-28)23-7-3-16(19)30-18-2-1-14-20(26-18)24-11-17(25-14)27-8-4-21(5-9-27)6-10-29-13-21/h1-3,7,11,28H,4-6,8-10,12-13H2
InChIKeyCEPSTDJABCFFSY-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.72
Rot. Bonds4

About [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol

[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol (PubChem CID 146553917) has the molecular formula C21H22ClN5O2S and a molecular weight of 443.96 g/mol. Its IUPAC name is [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol
PubChem CID146553917
Molecular FormulaC21H22ClN5O2S
Molecular Weight443.96 g/mol
Exact Mass443.12
IUPAC Name[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol
SMILESOCc1nccc(Sc2ccc3nc(N4CCC5(CCOC5)CC4)cnc3n2)c1Cl
InChIInChI=1S/C21H22ClN5O2S/c22-19-15(12-28)23-7-3-16(19)30-18-2-1-14-20(26-18)24-11-17(25-14)27-8-4-21(5-9-27)6-10-29-13-21/h1-3,7,11,28H,4-6,8-10,12-13H2
InChIKeyCEPSTDJABCFFSY-UHFFFAOYSA-N
XLogP3.72
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
CID 146485538
3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
CID 146554051
(4R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 146554065
3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
CID 145210194
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 156901251
1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine
CID 156901246
(4R)-8-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 146485729
(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485346
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146554238
1-[4-[2-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloro-2-pyridinyl]piperidin-4-ol
CID 146553932
(5R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-fluorospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485690
(3S,4S)-3-methyl-8-[6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146554245

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol (CID 146553917) is [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol is OCc1nccc(Sc2ccc3nc(N4CCC5(CCOC5)CC4)cnc3n2)c1Cl.
What is the InChIKey of [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol?
The InChIKey is CEPSTDJABCFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2S/c22-19-15(12-28)23-7-3-16(19)30-18-2-1-14-20(26-18)24-11-17(25-14)27-8-4-21(5-9-27)6-10-29-13-21/h1-3,7,11,28H,4-6,8-10,12-13H2.
What are the key properties of [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol?
[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol has a molecular weight of 443.96 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol is sourced from PubChem (CID 146553917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).