(8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

C27H36N8O2 — CID 158965602

About (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

(8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 158965602) has the molecular formula C27H36N8O2 and a molecular weight of 504.64 g/mol. Its IUPAC name is (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
• PubChem CID: 158965602
• Molecular Formula: C27H36N8O2
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.30
• IUPAC Name: (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
• SMILES: C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CC[C@H](C)c4nc(C(=O)N(C)C)ccc43)CC2)[C@@H]1N
• InChI: InChI=1S/C27H36N8O2/c1-16-7-10-35(20-6-5-18(32-22(16)20)26(36)33(3)4)25-23-19(13-30-25)31-21(14-29-23)34-11-8-27(9-12-34)15-37-17(2)24(27)28/h5-6,14,16-17,24H,7-13,15,28H2,1-4H3/t16-,17-,24+/m0/s1
• InChIKey: IKKYZFZKGSPEGP-WOGXIUBCSA-N
• XLogP: 2.18
• TPSA: 113.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?

The IUPAC name of (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 158965602) is (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.

What is the SMILES notation for (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?

The canonical SMILES for (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is C[C@@H]1OCC2(CCN(c3cnc4c(n3)CN=C4N3CC[C@H](C)c4nc(C(=O)N(C)C)ccc43)CC2)[C@@H]1N.

What is the InChIKey of (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?

The InChIKey is IKKYZFZKGSPEGP-WOGXIUBCSA-N. The full InChI is InChI=1S/C27H36N8O2/c1-16-7-10-35(20-6-5-18(32-22(16)20)26(36)33(3)4)25-23-19(13-30-25)31-21(14-29-23)34-11-8-27(9-12-34)15-37-17(2)24(27)28/h5-6,14,16-17,24H,7-13,15,28H2,1-4H3/t16-,17-,24+/m0/s1.

What are the key properties of (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?

(8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-5-[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 158965602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).