3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine

C26H26ClFN6S — CID 164860693

About 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine

3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine (PubChem CID 164860693) has the molecular formula C26H26ClFN6S and a molecular weight of 509.05 g/mol. Its IUPAC name is 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine
• PubChem CID: 164860693
• Molecular Formula: C26H26ClFN6S
• Molecular Weight: 509.05 g/mol
• Exact Mass: 508.16
• IUPAC Name: 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine
• SMILES: CNC1(c2ccccc2F)CCN(c2ccc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1C
• InChI: InChI=1S/C26H26ClFN6S/c1-16-15-34(14-12-26(16,30-2)17-5-3-4-6-18(17)28)22-9-7-20-19(32-22)8-10-23(33-20)35-21-11-13-31-25(29)24(21)27/h3-11,13,16,30H,12,14-15H2,1-2H3,(H2,29,31)
• InChIKey: WXMLJDGECQVKJP-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 79.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.05
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine?

The IUPAC name of 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine (CID 164860693) is 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine.

What is the SMILES notation for 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine?

The canonical SMILES for 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine is CNC1(c2ccccc2F)CCN(c2ccc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1C.

What is the InChIKey of 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine?

The InChIKey is WXMLJDGECQVKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6S/c1-16-15-34(14-12-26(16,30-2)17-5-3-4-6-18(17)28)22-9-7-20-19(32-22)8-10-23(33-20)35-21-11-13-31-25(29)24(21)27/h3-11,13,16,30H,12,14-15H2,1-2H3,(H2,29,31).

What are the key properties of 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine?

3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine has a molecular weight of 509.05 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine is sourced from PubChem (CID 164860693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).