(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

C24H27N7OS — CID 146554245

IUPAC(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4nc(Sc5ccnc6c5ccn6C)ccc4n3)CC2)[C@@H]1N
InChIInChI=1S/C24H27N7OS/c1-15-21(25)24(14-32-15)7-11-31(12-8-24)19-13-27-22-17(28-19)3-4-20(29-22)33-18-5-9-26-23-16(18)6-10-30(23)2/h3-6,9-10,13,15,21H,7-8,11-12,14,25H2,1-2H3/t15-,21+/m0/s1
InChIKeyQDHGFXBJOHKTTK-YCRPNKLZSA-N
MW461.60 g/mol
LogP3.40
Rot. Bonds3

About (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

(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 (PubChem CID 146554245) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146554245
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4nc(Sc5ccnc6c5ccn6C)ccc4n3)CC2)[C@@H]1N
InChIInChI=1S/C24H27N7OS/c1-15-21(25)24(14-32-15)7-11-31(12-8-24)19-13-27-22-17(28-19)3-4-20(29-22)33-18-5-9-26-23-16(18)6-10-30(23)2/h3-6,9-10,13,15,21H,7-8,11-12,14,25H2,1-2H3/t15-,21+/m0/s1
InChIKeyQDHGFXBJOHKTTK-YCRPNKLZSA-N
XLogP3.40
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-8-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146485685
(3S,4S)-8-[6-(3,4-dihydro-2H-quinolin-1-yl)pyrido[2,3-b]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146485570
(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
(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;butanedioic acid
CID 146454292
(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
CID 146485538
(3S,4S)-8-[8-(7-chloroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146466982
(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
(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
(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
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyridinyl]methanol
CID 138544756
(4R)-8-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 146485729
[1-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]-3-fluoroazetidin-3-yl]methanol
CID 162523201

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OCC2(CCN(c3cnc4nc(Sc5ccnc6c5ccn6C)ccc4n3)CC2)[C@@H]1N.
What is the InChIKey of (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?
The InChIKey is QDHGFXBJOHKTTK-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-15-21(25)24(14-32-15)7-11-31(12-8-24)19-13-27-22-17(28-19)3-4-20(29-22)33-18-5-9-26-23-16(18)6-10-30(23)2/h3-6,9-10,13,15,21H,7-8,11-12,14,25H2,1-2H3/t15-,21+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 461.60 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146554245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).