(3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C26H31N9O2 — CID 167366380

IUPAC(3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1coc(-c2ccc3c(n2)CCCN3c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)n1
InChIInChI=1S/C26H31N9O2/c1-15-13-36-25(29-15)18-5-6-19-17(30-18)4-3-9-35(19)24-21-23(32-33-24)31-20(12-28-21)34-10-7-26(8-11-34)14-37-16(2)22(26)27/h5-6,12-13,16,22H,3-4,7-11,14,27H2,1-2H3,(H,31,32,33)/t16-,22+/m0/s1
InChIKeyQIWRASIQDRXLOL-KSFYIVLOSA-N
MW501.60 g/mol
LogP3.13
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 167366380) has the molecular formula C26H31N9O2 and a molecular weight of 501.60 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID167366380
Molecular FormulaC26H31N9O2
Molecular Weight501.60 g/mol
Exact Mass501.26
IUPAC Name(3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1coc(-c2ccc3c(n2)CCCN3c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)n1
InChIInChI=1S/C26H31N9O2/c1-15-13-36-25(29-15)18-5-6-19-17(30-18)4-3-9-35(19)24-21-23(32-33-24)31-20(12-28-21)34-10-7-26(8-11-34)14-37-16(2)22(26)27/h5-6,12-13,16,22H,3-4,7-11,14,27H2,1-2H3,(H,31,32,33)/t16-,22+/m0/s1
InChIKeyQIWRASIQDRXLOL-KSFYIVLOSA-N
XLogP3.13
TPSA135.11 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 167366380) is (3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1coc(-c2ccc3c(n2)CCCN3c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)n1.
What is the InChIKey of (3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is QIWRASIQDRXLOL-KSFYIVLOSA-N. The full InChI is InChI=1S/C26H31N9O2/c1-15-13-36-25(29-15)18-5-6-19-17(30-18)4-3-9-35(19)24-21-23(32-33-24)31-20(12-28-21)34-10-7-26(8-11-34)14-37-16(2)22(26)27/h5-6,12-13,16,22H,3-4,7-11,14,27H2,1-2H3,(H,31,32,33)/t16-,22+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-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 3.13, 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-[6-(4-methyl-1,3-oxazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167366380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).