N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide

C30H44N8O2S — CID 135388817

About N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide

N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 135388817) has the molecular formula C30H44N8O2S and a molecular weight of 580.80 g/mol. Its IUPAC name is N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 135388817
• Molecular Formula: C30H44N8O2S
• Molecular Weight: 580.80 g/mol
• Exact Mass: 580.33
• IUPAC Name: N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide
• SMILES: CC(NS(=O)C(C)(C)C)C1(C)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1
• InChI: InChI=1S/C30H44N8O2S/c1-21(35-41(39)29(2,3)4)30(5)13-17-36(18-14-30)24-20-32-26-27(33-24)38(25-12-6-7-19-40-25)34-28(26)37-16-9-10-22-23(37)11-8-15-31-22/h8,11,15,20-21,25,35H,6-7,9-10,12-14,16-19H2,1-5H3
• InChIKey: NVYDOLFJVVOGAU-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.80
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 135388817) is N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C1(C)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.

What is the InChIKey of N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is NVYDOLFJVVOGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N8O2S/c1-21(35-41(39)29(2,3)4)30(5)13-17-36(18-14-30)24-20-32-26-27(33-24)38(25-12-6-7-19-40-25)34-28(26)37-16-9-10-22-23(37)11-8-15-31-22/h8,11,15,20-21,25,35H,6-7,9-10,12-14,16-19H2,1-5H3.

What are the key properties of N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide?

N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 580.80 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135388817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).