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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one

C27H34N8O3 — CID 167366285

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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c(CN7CCOC7=O)cccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C27H34N8O3/c1-17-23(28)27(16-38-17)7-10-33(11-8-27)21-14-29-22-24(30-21)31-32-25(22)35-9-3-5-19-18(4-2-6-20(19)35)15-34-12-13-37-26(34)36/h2,4,6,14,17,23H,3,5,7-13,15-16,28H2,1H3,(H,30,31,32)/t17-,23+/m0/s1
InChIKeyKZSNMZKJULRDRY-GAJHUEQPSA-N
MW518.62 g/mol
LogP2.72
Rot. Bonds4

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-quinolin-5-yl]methyl]-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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 167366285) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 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-quinolin-5-yl]methyl]-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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID167366285
Molecular FormulaC27H34N8O3
Molecular Weight518.62 g/mol
Exact Mass518.28
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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c(CN7CCOC7=O)cccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C27H34N8O3/c1-17-23(28)27(16-38-17)7-10-33(11-8-27)21-14-29-22-24(30-21)31-32-25(22)35-9-3-5-19-18(4-2-6-20(19)35)15-34-12-13-37-26(34)36/h2,4,6,14,17,23H,3,5,7-13,15-16,28H2,1H3,(H,30,31,32)/t17-,23+/m0/s1
InChIKeyKZSNMZKJULRDRY-GAJHUEQPSA-N
XLogP2.72
TPSA125.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-quinolin-5-yl]methyl]-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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one (CID 167366285) 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-quinolin-5-yl]methyl]-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-quinolin-5-yl]methyl]-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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c(CN7CCOC7=O)cccc65)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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is KZSNMZKJULRDRY-GAJHUEQPSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-17-23(28)27(16-38-17)7-10-33(11-8-27)21-14-29-22-24(30-21)31-32-25(22)35-9-3-5-19-18(4-2-6-20(19)35)15-34-12-13-37-26(34)36/h2,4,6,14,17,23H,3,5,7-13,15-16,28H2,1H3,(H,30,31,32)/t17-,23+/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-quinolin-5-yl]methyl]-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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 518.62 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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-quinolin-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 167366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).