(3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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

C26H34N8O2 — CID 135388600

IUPAC(3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(C7CCOC7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H34N8O2/c1-16-23(27)26(15-36-16)7-10-33(11-8-26)21-13-28-22-24(30-21)31-32-25(22)34-9-2-3-19-20(34)5-4-18(29-19)17-6-12-35-14-17/h4-5,13,16-17,23H,2-3,6-12,14-15,27H2,1H3,(H,30,31,32)/t16-,17?,23+/m0/s1
InChIKeyRMAXQIPQKVVTID-BJZPFVDKSA-N
MW490.61 g/mol
LogP2.67
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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-(oxolan-3-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 135388600) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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-(oxolan-3-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 CID135388600
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC Name(3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(C7CCOC7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H34N8O2/c1-16-23(27)26(15-36-16)7-10-33(11-8-26)21-13-28-22-24(30-21)31-32-25(22)34-9-2-3-19-20(34)5-4-18(29-19)17-6-12-35-14-17/h4-5,13,16-17,23H,2-3,6-12,14-15,27H2,1H3,(H,30,31,32)/t16-,17?,23+/m0/s1
InChIKeyRMAXQIPQKVVTID-BJZPFVDKSA-N
XLogP2.67
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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-(oxolan-3-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 135388600) is (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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-(oxolan-3-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-(oxolan-3-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 C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(C7CCOC7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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 RMAXQIPQKVVTID-BJZPFVDKSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-16-23(27)26(15-36-16)7-10-33(11-8-26)21-13-28-22-24(30-21)31-32-25(22)34-9-2-3-19-20(34)5-4-18(29-19)17-6-12-35-14-17/h4-5,13,16-17,23H,2-3,6-12,14-15,27H2,1H3,(H,30,31,32)/t16-,17?,23+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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-(oxolan-3-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 490.61 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-8-[3-[6-(oxolan-3-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 135388600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).