(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

C25H30N6O — CID 146485570

IUPAC(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4nc(N5CCCc6ccccc65)ccc4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H30N6O/c1-17-23(26)25(16-32-17)10-13-30(14-11-25)22-15-27-24-19(28-22)8-9-21(29-24)31-12-4-6-18-5-2-3-7-20(18)31/h2-3,5,7-9,15,17,23H,4,6,10-14,16,26H2,1H3/t17-,23+/m0/s1
InChIKeyOLAVNCAESVUEIN-GAJHUEQPSA-N
MW430.56 g/mol
LogP3.44
Rot. Bonds2

About (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

(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 (PubChem CID 146485570) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146485570
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4nc(N5CCCc6ccccc65)ccc4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H30N6O/c1-17-23(26)25(16-32-17)10-13-30(14-11-25)22-15-27-24-19(28-22)8-9-21(29-24)31-12-4-6-18-5-2-3-7-20(18)31/h2-3,5,7-9,15,17,23H,4,6,10-14,16,26H2,1H3/t17-,23+/m0/s1
InChIKeyOLAVNCAESVUEIN-GAJHUEQPSA-N
XLogP3.44
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 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)-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
(3S,4S)-3-methyl-8-[3-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366391
(3S,4S)-8-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 171726042
N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 135388909
(3S,4S)-3-methyl-8-[3-[5-(1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388882
(3S,4S)-3-methyl-8-[7-[6-(1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158828843
methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride
CID 142484380
(3S,4S)-3-methyl-8-[7-[6-(1,2-oxazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 159243833
(3S)-3-methyl-8-[3-[6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 142484357
(3S,4S)-3-methyl-8-[3-[5-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167845086
(3S,4S)-3-methyl-8-[3-[6-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388745

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OCC2(CCN(c3cnc4nc(N5CCCc6ccccc65)ccc4n3)CC2)[C@@H]1N.
What is the InChIKey of (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?
The InChIKey is OLAVNCAESVUEIN-GAJHUEQPSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-23(26)25(16-32-17)10-13-30(14-11-25)22-15-27-24-19(28-22)8-9-21(29-24)31-12-4-6-18-5-2-3-7-20(18)31/h2-3,5,7-9,15,17,23H,4,6,10-14,16,26H2,1H3/t17-,23+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 430.56 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146485570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).