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

C25H30N10O2 — CID 167366370

IUPAC(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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(N5CCOc6nc(-c7cnn(C)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H30N10O2/c1-15-21(26)25(14-37-15)5-7-34(8-6-25)19-12-27-20-22(30-19)31-32-23(20)35-9-10-36-24-18(35)4-3-17(29-24)16-11-28-33(2)13-16/h3-4,11-13,15,21H,5-10,14,26H2,1-2H3,(H,30,31,32)/t15-,21+/m0/s1
InChIKeyPNOGDPYMQKYNCE-YCRPNKLZSA-N
MW502.58 g/mol
LogP2.01
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 167366370) has the molecular formula C25H30N10O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID167366370
Molecular FormulaC25H30N10O2
Molecular Weight502.58 g/mol
Exact Mass502.26
IUPAC Name(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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(N5CCOc6nc(-c7cnn(C)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C25H30N10O2/c1-15-21(26)25(14-37-15)5-7-34(8-6-25)19-12-27-20-22(30-19)31-32-23(20)35-9-10-36-24-18(35)4-3-17(29-24)16-11-28-33(2)13-16/h3-4,11-13,15,21H,5-10,14,26H2,1-2H3,(H,30,31,32)/t15-,21+/m0/s1
InChIKeyPNOGDPYMQKYNCE-YCRPNKLZSA-N
XLogP2.01
TPSA136.13 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 167366370) is (3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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(N5CCOc6nc(-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is PNOGDPYMQKYNCE-YCRPNKLZSA-N. The full InChI is InChI=1S/C25H30N10O2/c1-15-21(26)25(14-37-15)5-7-34(8-6-25)19-12-27-20-22(30-19)31-32-23(20)35-9-10-36-24-18(35)4-3-17(29-24)16-11-28-33(2)13-16/h3-4,11-13,15,21H,5-10,14,26H2,1-2H3,(H,30,31,32)/t15-,21+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-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)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 502.58 g/mol, XLogP of 2.01, 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-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167366370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).