(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

C24H28N10O2 — CID 135388217

IUPAC(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7ncon7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C24H28N10O2/c1-14-20(25)24(12-35-14)6-9-33(10-7-24)18-11-26-19-22(29-18)30-31-23(19)34-8-2-3-15-17(34)5-4-16(28-15)21-27-13-36-32-21/h4-5,11,13-14,20H,2-3,6-10,12,25H2,1H3,(H,29,30,31)/t14-,20+/m0/s1
InChIKeySRIXBZXBNRRXLP-VBKZILBWSA-N
MW488.56 g/mol
LogP2.21
Rot. Bonds3

About (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

(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 (PubChem CID 135388217) has the molecular formula C24H28N10O2 and a molecular weight of 488.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135388217
Molecular FormulaC24H28N10O2
Molecular Weight488.56 g/mol
Exact Mass488.24
IUPAC Name(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7ncon7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C24H28N10O2/c1-14-20(25)24(12-35-14)6-9-33(10-7-24)18-11-26-19-22(29-18)30-31-23(19)34-8-2-3-15-17(34)5-4-16(28-15)21-27-13-36-32-21/h4-5,11,13-14,20H,2-3,6-10,12,25H2,1H3,(H,29,30,31)/t14-,20+/m0/s1
InChIKeySRIXBZXBNRRXLP-VBKZILBWSA-N
XLogP2.21
TPSA148.00 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7ncon7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of (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?
The InChIKey is SRIXBZXBNRRXLP-VBKZILBWSA-N. The full InChI is InChI=1S/C24H28N10O2/c1-14-20(25)24(12-35-14)6-9-33(10-7-24)18-11-26-19-22(29-18)30-31-23(19)34-8-2-3-15-17(34)5-4-16(28-15)21-27-13-36-32-21/h4-5,11,13-14,20H,2-3,6-10,12,25H2,1H3,(H,29,30,31)/t14-,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 488.56 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135388217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).