6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C26H30N6O3S — CID 66970927

About 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 66970927) has the molecular formula C26H30N6O3S and a molecular weight of 506.63 g/mol. Its IUPAC name is 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

• Compound Name: 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• PubChem CID: 66970927
• Molecular Formula: C26H30N6O3S
• Molecular Weight: 506.63 g/mol
• Exact Mass: 506.21
• IUPAC Name: 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
• SMILES: COc1ccc2ncc3c(c2n1)C(CC(NCc1ccc2c(n1)NC(=O)CS2)[C@H]1CCCNC1)CO3
• InChI: InChI=1S/C26H30N6O3S/c1-34-23-7-5-18-25(32-23)24-16(13-35-20(24)12-29-18)9-19(15-3-2-8-27-10-15)28-11-17-4-6-21-26(30-17)31-22(33)14-36-21/h4-7,12,15-16,19,27-28H,2-3,8-11,13-14H2,1H3,(H,30,31,33)/t15-,16?,19?/m0/s1
• InChIKey: SAYKBRSGRZMNLT-LYGPFTKASA-N
• XLogP: 3.10
• TPSA: 110.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.63
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The IUPAC name of 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 66970927) is 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

What is the SMILES notation for 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The canonical SMILES for 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2ncc3c(c2n1)C(CC(NCc1ccc2c(n1)NC(=O)CS2)[C@H]1CCCNC1)CO3.

What is the InChIKey of 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

The InChIKey is SAYKBRSGRZMNLT-LYGPFTKASA-N. The full InChI is InChI=1S/C26H30N6O3S/c1-34-23-7-5-18-25(32-23)24-16(13-35-20(24)12-29-18)9-19(15-3-2-8-27-10-15)28-11-17-4-6-21-26(30-17)31-22(33)14-36-21/h4-7,12,15-16,19,27-28H,2-3,8-11,13-14H2,1H3,(H,30,31,33)/t15-,16?,19?/m0/s1.

What are the key properties of 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?

6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 506.63 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 66970927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).