(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

C26H30N8O2 — CID 159243833

IUPAC(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CCCc4nc(-c5cnoc5)ccc43)CC2)[C@@H]1N
InChIInChI=1S/C26H30N8O2/c1-16-24(27)26(15-35-16)6-9-33(10-7-26)22-13-28-23-20(32-22)12-29-25(23)34-8-2-3-19-21(34)5-4-18(31-19)17-11-30-36-14-17/h4-5,11,13-14,16,24H,2-3,6-10,12,15,27H2,1H3/t16-,24+/m0/s1
InChIKeyNCNKJHJEUCBIDH-UPCLLVRISA-N
MW486.58 g/mol
LogP2.57
Rot. Bonds2

About (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

(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 (PubChem CID 159243833) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159243833
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CCCc4nc(-c5cnoc5)ccc43)CC2)[C@@H]1N
InChIInChI=1S/C26H30N8O2/c1-16-24(27)26(15-35-16)6-9-33(10-7-26)22-13-28-23-20(32-22)12-29-25(23)34-8-2-3-19-21(34)5-4-18(31-19)17-11-30-36-14-17/h4-5,11,13-14,16,24H,2-3,6-10,12,15,27H2,1H3/t16-,24+/m0/s1
InChIKeyNCNKJHJEUCBIDH-UPCLLVRISA-N
XLogP2.57
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(3S,4S)-3-methyl-8-[7-[6-(2-methylpyrazol-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 158044741
(3S,4S)-3-methyl-8-[7-[(4S)-4-methyl-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 161178845
(8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
CID 158965602
(8R)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide;hydrochloride
CID 158725395
(3S,4S)-8-[7-[(4S)-6-[(E)-methoxyiminomethyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 172943594
(3S,4S)-8-[7-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158418048
(3S,4S)-8-[3-[6-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;hydrochloride
CID 142484390
(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-[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
(3S,4S)-8-[3-[6-(2,5-dihydrofuran-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366237
1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 159724926

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CCCc4nc(-c5cnoc5)ccc43)CC2)[C@@H]1N.
What is the InChIKey of (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?
The InChIKey is NCNKJHJEUCBIDH-UPCLLVRISA-N. The full InChI is InChI=1S/C26H30N8O2/c1-16-24(27)26(15-35-16)6-9-33(10-7-26)22-13-28-23-20(32-22)12-29-25(23)34-8-2-3-19-21(34)5-4-18(31-19)17-11-30-36-14-17/h4-5,11,13-14,16,24H,2-3,6-10,12,15,27H2,1H3/t16-,24+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 486.58 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159243833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).