methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride

C24H31ClN8O3 — CID 142484380

About methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride

methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride (PubChem CID 142484380) has the molecular formula C24H31ClN8O3 and a molecular weight of 515.02 g/mol. Its IUPAC name is methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride
• PubChem CID: 142484380
• Molecular Formula: C24H31ClN8O3
• Molecular Weight: 515.02 g/mol
• Exact Mass: 514.22
• IUPAC Name: methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride
• SMILES: COC(=O)n1nc(N2CCCc3ncccc32)c2ncc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)nc21.Cl
• InChI: InChI=1S/C24H30N8O3.ClH/c1-15-20(25)24(14-35-15)7-11-30(12-8-24)18-13-27-19-21(28-18)32(23(33)34-2)29-22(19)31-10-4-5-16-17(31)6-3-9-26-16;/h3,6,9,13,15,20H,4-5,7-8,10-12,14,25H2,1-2H3;1H/t15-,20+;/m0./s1
• InChIKey: QFAORPCFOGOMPG-ICCPGPOKSA-N
• XLogP: 2.67
• TPSA: 124.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.02
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride?

The IUPAC name of methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride (CID 142484380) is methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride.

What is the SMILES notation for methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride?

The canonical SMILES for methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride is COC(=O)n1nc(N2CCCc3ncccc32)c2ncc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)nc21.Cl.

What is the InChIKey of methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride?

The InChIKey is QFAORPCFOGOMPG-ICCPGPOKSA-N. The full InChI is InChI=1S/C24H30N8O3.ClH/c1-15-20(25)24(14-35-15)7-11-30(12-8-24)18-13-27-19-21(28-18)32(23(33)34-2)29-22(19)31-10-4-5-16-17(31)6-3-9-26-16;/h3,6,9,13,15,20H,4-5,7-8,10-12,14,25H2,1-2H3;1H/t15-,20+;/m0./s1.

What are the key properties of methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride?

methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride has a molecular weight of 515.02 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 142484380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).