3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one

C25H32N10O3 — CID 167845101

IUPAC3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(C7NOC(=O)N7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H32N10O3/c1-13-5-8-35(16-4-3-15(28-18(13)16)21-30-24(36)38-33-21)23-19-22(31-32-23)29-17(11-27-19)34-9-6-25(7-10-34)12-37-14(2)20(25)26/h3-4,11,13-14,20-21,33H,5-10,12,26H2,1-2H3,(H,30,36)(H,29,31,32)/t13-,14-,20+,21?/m0/s1
InChIKeyUOTRMOPVXOKXDJ-ITZZLVQVSA-N
MW520.60 g/mol
LogP1.97
Rot. Bonds3

About 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one

3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 167845101) has the molecular formula C25H32N10O3 and a molecular weight of 520.60 g/mol. Its IUPAC name is 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID167845101
Molecular FormulaC25H32N10O3
Molecular Weight520.60 g/mol
Exact Mass520.27
IUPAC Name3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(C7NOC(=O)N7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H32N10O3/c1-13-5-8-35(16-4-3-15(28-18(13)16)21-30-24(36)38-33-21)23-19-22(31-32-23)29-17(11-27-19)34-9-6-25(7-10-34)12-37-14(2)20(25)26/h3-4,11,13-14,20-21,33H,5-10,12,26H2,1-2H3,(H,30,36)(H,29,31,32)/t13-,14-,20+,21?/m0/s1
InChIKeyUOTRMOPVXOKXDJ-ITZZLVQVSA-N
XLogP1.97
TPSA159.44 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-8-[3-[(4S)-5-fluoro-6-isocyano-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366313
(3S,4S)-8-[3-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366294
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]-7-fluoro-4-methyl-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 167845111
(3S,4S)-8-[3-[4-(difluoromethyl)-6-isocyano-3,4-dihydro-2H-quinolin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366327
(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
2-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]acetic acid;hydrochloride
CID 135388867
(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
(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-[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
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

Frequently Asked Questions

What is the IUPAC name of 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one (CID 167845101) is 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one is C[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(C7NOC(=O)N7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is UOTRMOPVXOKXDJ-ITZZLVQVSA-N. The full InChI is InChI=1S/C25H32N10O3/c1-13-5-8-35(16-4-3-15(28-18(13)16)21-30-24(36)38-33-21)23-19-22(31-32-23)29-17(11-27-19)34-9-6-25(7-10-34)12-37-14(2)20(25)26/h3-4,11,13-14,20-21,33H,5-10,12,26H2,1-2H3,(H,30,36)(H,29,31,32)/t13-,14-,20+,21?/m0/s1.
What are the key properties of 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one?
3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 520.60 g/mol, XLogP of 1.97, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 167845101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).