3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one

C25H31N9O3 — CID 167845112

IUPAC3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c5ccnc6N5CCOC5=O)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H31N9O3/c1-15-20(26)25(14-37-15)5-9-32(10-6-25)18-13-28-19-21(29-18)30-31-23(19)33-8-2-3-16-17(33)4-7-27-22(16)34-11-12-36-24(34)35/h4,7,13,15,20H,2-3,5-6,8-12,14,26H2,1H3,(H,29,30,31)/t15-,20+/m0/s1
InChIKeyXMYBLVVNYRVBRW-MGPUTAFESA-N
MW505.58 g/mol
LogP2.12
Rot. Bonds3

About 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one

3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 167845112) has the molecular formula C25H31N9O3 and a molecular weight of 505.58 g/mol. Its IUPAC name is 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
PubChem CID167845112
Molecular FormulaC25H31N9O3
Molecular Weight505.58 g/mol
Exact Mass505.25
IUPAC Name3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c5ccnc6N5CCOC5=O)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H31N9O3/c1-15-20(26)25(14-37-15)5-9-32(10-6-25)18-13-28-19-21(29-18)30-31-23(19)33-8-2-3-16-17(33)4-7-27-22(16)34-11-12-36-24(34)35/h4,7,13,15,20H,2-3,5-6,8-12,14,26H2,1H3,(H,29,30,31)/t15-,20+/m0/s1
InChIKeyXMYBLVVNYRVBRW-MGPUTAFESA-N
XLogP2.12
TPSA138.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one (CID 167845112) is 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c5ccnc6N5CCOC5=O)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is XMYBLVVNYRVBRW-MGPUTAFESA-N. The full InChI is InChI=1S/C25H31N9O3/c1-15-20(26)25(14-37-15)5-9-32(10-6-25)18-13-28-19-21(29-18)30-31-23(19)33-8-2-3-16-17(33)4-7-27-22(16)34-11-12-36-24(34)35/h4,7,13,15,20H,2-3,5-6,8-12,14,26H2,1H3,(H,29,30,31)/t15-,20+/m0/s1.
What are the key properties of 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 505.58 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[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-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167845112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).