N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

C24H32N8O3S — CID 135388909

About N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide

N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (PubChem CID 135388909) has the molecular formula C24H32N8O3S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
• PubChem CID: 135388909
• Molecular Formula: C24H32N8O3S
• Molecular Weight: 512.64 g/mol
• Exact Mass: 512.23
• IUPAC Name: N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
• SMILES: C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c(NS(C)(=O)=O)cccc65)n[nH]c4n3)CC2)[C@@H]1N
• InChI: InChI=1S/C24H32N8O3S/c1-15-21(25)24(14-35-15)8-11-31(12-9-24)19-13-26-20-22(27-19)28-29-23(20)32-10-4-5-16-17(30-36(2,33)34)6-3-7-18(16)32/h3,6-7,13,15,21,30H,4-5,8-12,14,25H2,1-2H3,(H,27,28,29)/t15-,21+/m0/s1
• InChIKey: VRYYEQLNZBFOCT-YCRPNKLZSA-N
• XLogP: 2.14
• TPSA: 142.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.64
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide (CID 135388909) is N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide.

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

The canonical SMILES for N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6c(NS(C)(=O)=O)cccc65)n[nH]c4n3)CC2)[C@@H]1N.

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

The InChIKey is VRYYEQLNZBFOCT-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H32N8O3S/c1-15-21(25)24(14-35-15)8-11-31(12-9-24)19-13-26-20-22(27-19)28-29-23(20)32-10-4-5-16-17(30-36(2,33)34)6-3-7-18(16)32/h3,6-7,13,15,21,30H,4-5,8-12,14,25H2,1-2H3,(H,27,28,29)/t15-,21+/m0/s1.

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

N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide has a molecular weight of 512.64 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide is sourced from PubChem (CID 135388909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).