(8R)-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;hydrochloride

C27H37ClN8O2 — CID 158725395

About (8R)-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;hydrochloride

(8R)-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;hydrochloride (PubChem CID 158725395) has the molecular formula C27H37ClN8O2 and a molecular weight of 541.10 g/mol. Its IUPAC name is (8R)-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;hydrochloride.

Molecular Properties

• Compound Name: (8R)-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;hydrochloride
• PubChem CID: 158725395
• Molecular Formula: C27H37ClN8O2
• Molecular Weight: 541.10 g/mol
• Exact Mass: 540.27
• IUPAC Name: (8R)-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;hydrochloride
• SMILES: C[C@@H]1CCN(C2=NCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc32)c2ccc(C(=O)N(C)C)nc21.Cl
• InChI: InChI=1S/C27H36N8O2.ClH/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;1H/t16-,17+,24-;/m1./s1
• InChIKey: RRLGLXZXIMLWBZ-JZPXCBNTSA-N
• XLogP: 2.60
• TPSA: 113.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.10
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (8R)-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;hydrochloride?

The IUPAC name of (8R)-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;hydrochloride (CID 158725395) is (8R)-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;hydrochloride.

What is the SMILES notation for (8R)-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;hydrochloride?

The canonical SMILES for (8R)-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;hydrochloride is C[C@@H]1CCN(C2=NCc3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc32)c2ccc(C(=O)N(C)C)nc21.Cl.

What is the InChIKey of (8R)-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;hydrochloride?

The InChIKey is RRLGLXZXIMLWBZ-JZPXCBNTSA-N. The full InChI is InChI=1S/C27H36N8O2.ClH/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;1H/t16-,17+,24-;/m1./s1.

What are the key properties of (8R)-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;hydrochloride?

(8R)-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;hydrochloride has a molecular weight of 541.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-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;hydrochloride is sourced from PubChem (CID 158725395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).