(3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C26H31N9O2 — CID 167366352

IUPAC(3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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(N5CCN(C)c6cc(-c7ncco7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H31N9O2/c1-16-22(27)26(15-37-16)5-8-34(9-6-26)20-14-29-21-23(30-20)31-32-24(21)35-11-10-33(2)19-13-17(3-4-18(19)35)25-28-7-12-36-25/h3-4,7,12-14,16,22H,5-6,8-11,15,27H2,1-2H3,(H,30,31,32)/t16-,22+/m0/s1
InChIKeyBGVGGIDWEBYPSJ-KSFYIVLOSA-N
MW501.60 g/mol
LogP2.93
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 167366352) has the molecular formula C26H31N9O2 and a molecular weight of 501.60 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID167366352
Molecular FormulaC26H31N9O2
Molecular Weight501.60 g/mol
Exact Mass501.26
IUPAC Name(3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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(N5CCN(C)c6cc(-c7ncco7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H31N9O2/c1-16-22(27)26(15-37-16)5-8-34(9-6-26)20-14-29-21-23(30-20)31-32-24(21)35-11-10-33(2)19-13-17(3-4-18(19)35)25-28-7-12-36-25/h3-4,7,12-14,16,22H,5-6,8-11,15,27H2,1-2H3,(H,30,31,32)/t16-,22+/m0/s1
InChIKeyBGVGGIDWEBYPSJ-KSFYIVLOSA-N
XLogP2.93
TPSA125.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.60
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine 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 (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 167366352) is (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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(N5CCN(C)c6cc(-c7ncco7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is BGVGGIDWEBYPSJ-KSFYIVLOSA-N. The full InChI is InChI=1S/C26H31N9O2/c1-16-22(27)26(15-37-16)5-8-34(9-6-26)20-14-29-21-23(30-20)31-32-24(21)35-11-10-33(2)19-13-17(3-4-18(19)35)25-28-7-12-36-25/h3-4,7,12-14,16,22H,5-6,8-11,15,27H2,1-2H3,(H,30,31,32)/t16-,22+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 501.60 g/mol, XLogP of 2.93, 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-[4-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167366352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).