6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane

C27H33FN6O2S — CID 143174555

About 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane

6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane (PubChem CID 143174555) has the molecular formula C27H33FN6O2S and a molecular weight of 524.67 g/mol. Its IUPAC name is 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane.

Molecular Properties

• Compound Name: 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane
• PubChem CID: 143174555
• Molecular Formula: C27H33FN6O2S
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.24
• IUPAC Name: 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane
• SMILES: C.COc1ccc2ncc(F)c(CCN3CC4CCC(NCc5ccc6c(n5)NC(=O)CS6)C4C3)c2n1
• InChI: InChI=1S/C26H29FN6O2S.CH4/c1-35-24-7-5-21-25(32-24)17(19(27)11-29-21)8-9-33-12-15-2-4-20(18(15)13-33)28-10-16-3-6-22-26(30-16)31-23(34)14-36-22;/h3,5-7,11,15,18,20,28H,2,4,8-10,12-14H2,1H3,(H,30,31,34);1H4
• InChIKey: ICTICETXUCTCHH-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane?

The IUPAC name of 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane (CID 143174555) is 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane.

What is the SMILES notation for 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane?

The canonical SMILES for 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane is C.COc1ccc2ncc(F)c(CCN3CC4CCC(NCc5ccc6c(n5)NC(=O)CS6)C4C3)c2n1.

What is the InChIKey of 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane?

The InChIKey is ICTICETXUCTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2S.CH4/c1-35-24-7-5-21-25(32-24)17(19(27)11-29-21)8-9-33-12-15-2-4-20(18(15)13-33)28-10-16-3-6-22-26(30-16)31-23(34)14-36-22;/h3,5-7,11,15,18,20,28H,2,4,8-10,12-14H2,1H3,(H,30,31,34);1H4.

What are the key properties of 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane?

6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane has a molecular weight of 524.67 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;methane is sourced from PubChem (CID 143174555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).