(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

C25H31N11O — CID 135388919

IUPAC(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6nc(-c7cnn(C)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H31N11O/c1-15-21(26)25(14-37-15)5-8-35(9-6-25)19-12-28-20-23(31-19)32-33-24(20)36-10-7-27-22-18(36)4-3-17(30-22)16-11-29-34(2)13-16/h3-4,11-13,15,21H,5-10,14,26H2,1-2H3,(H,27,30)(H,31,32,33)/t15-,21+/m0/s1
InChIKeyDSCVIKKUYDIUDP-YCRPNKLZSA-N
MW501.60 g/mol
LogP2.04
Rot. Bonds3

About (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

(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 (PubChem CID 135388919) has the molecular formula C25H31N11O and a molecular weight of 501.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135388919
Molecular FormulaC25H31N11O
Molecular Weight501.60 g/mol
Exact Mass501.27
IUPAC Name(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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6nc(-c7cnn(C)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H31N11O/c1-15-21(26)25(14-37-15)5-8-35(9-6-25)19-12-28-20-23(31-19)32-33-24(20)36-10-7-27-22-18(36)4-3-17(30-22)16-11-29-34(2)13-16/h3-4,11-13,15,21H,5-10,14,26H2,1-2H3,(H,27,30)(H,31,32,33)/t15-,21+/m0/s1
InChIKeyDSCVIKKUYDIUDP-YCRPNKLZSA-N
XLogP2.04
TPSA138.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.60
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (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 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-[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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6nc(-c7cnn(C)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of (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?
The InChIKey is DSCVIKKUYDIUDP-YCRPNKLZSA-N. The full InChI is InChI=1S/C25H31N11O/c1-15-21(26)25(14-37-15)5-8-35(9-6-25)19-12-28-20-23(31-19)32-33-24(20)36-10-7-27-22-18(36)4-3-17(30-22)16-11-29-34(2)13-16/h3-4,11-13,15,21H,5-10,14,26H2,1-2H3,(H,27,30)(H,31,32,33)/t15-,21+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 501.60 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 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-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 is sourced from PubChem (CID 135388919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).