(3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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

C25H29N9O2 — CID 135388815

IUPAC(3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7cnoc7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H29N9O2/c1-15-22(26)25(14-35-15)6-9-33(10-7-25)20-12-27-21-23(30-20)31-32-24(21)34-8-2-3-18-19(34)5-4-17(29-18)16-11-28-36-13-16/h4-5,11-13,15,22H,2-3,6-10,14,26H2,1H3,(H,30,31,32)/t15-,22+/m0/s1
InChIKeyUXSOAQWCYLUOGX-OYHNWAKOSA-N
MW487.57 g/mol
LogP2.82
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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

(3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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 (PubChem CID 135388815) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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.

Molecular Properties

Compound Name(3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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
PubChem CID135388815
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC Name(3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7cnoc7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H29N9O2/c1-15-22(26)25(14-35-15)6-9-33(10-7-25)20-12-27-21-23(30-20)31-32-24(21)34-8-2-3-18-19(34)5-4-17(29-18)16-11-28-36-13-16/h4-5,11-13,15,22H,2-3,6-10,14,26H2,1H3,(H,30,31,32)/t15-,22+/m0/s1
InChIKeyUXSOAQWCYLUOGX-OYHNWAKOSA-N
XLogP2.82
TPSA135.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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 with MolForge

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Related Compounds

US10772893, Example 112
CID 118869179
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-naphthyridine-2-carboxamide
CID 135387816
(3S,4S)-3-methyl-8-[3-[4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388136
(3S,4S)-3-methyl-8-[3-[6-(1,2,4-oxadiazol-3-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 135388217
(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-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 135388423
(8R)-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-naphthyridine-2-carboxamide
CID 135388440
(3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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 135388600
(3S,4S)-3-methyl-8-[3-[(4S)-4-methyl-6-(1-methylpyrazol-4-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 135388625
(3S,4S)-3-methyl-8-[3-[(4R)-4-methyl-6-(1,2,4-oxadiazol-3-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 135388723
(3S,4S)-3-methyl-8-[3-[6-(1-propylpyrazol-4-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 135388774
(3S,4S)-3-methyl-8-[3-[(4R)-4-methyl-6-(1-methylpyrazol-4-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 135388808
(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388919

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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?
The IUPAC name of (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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 135388815) is (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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.
What is the SMILES notation for (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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?
The canonical SMILES for (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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 is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7cnoc7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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?
The InChIKey is UXSOAQWCYLUOGX-OYHNWAKOSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-15-22(26)25(14-35-15)6-9-33(10-7-25)20-12-27-21-23(30-20)31-32-24(21)34-8-2-3-18-19(34)5-4-17(29-18)16-11-28-36-13-16/h4-5,11-13,15,22H,2-3,6-10,14,26H2,1H3,(H,30,31,32)/t15-,22+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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?
(3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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 has a molecular weight of 487.57 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-8-[3-[6-(1,2-oxazol-4-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 is sourced from PubChem (CID 135388815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).