4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine

C32H33FN6OS — CID 159571621

About 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine

4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 159571621) has the molecular formula C32H33FN6OS and a molecular weight of 568.72 g/mol. Its IUPAC name is 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine
• PubChem CID: 159571621
• Molecular Formula: C32H33FN6OS
• Molecular Weight: 568.72 g/mol
• Exact Mass: 568.24
• IUPAC Name: 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine
• SMILES: Cc1nc(CCc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@@H]5CNC[C@H](C)C5)n4)c(C)ccc23)cs1
• InChI: InChI=1S/C32H33FN6OS/c1-19-15-23(17-34-16-19)38-32-36-14-12-29(39-32)27-5-4-13-35-31(27)40-30-20(2)6-8-24-25(28(33)11-10-26(24)30)9-7-22-18-41-21(3)37-22/h4-6,8,10-14,18-19,23,34H,7,9,15-17H2,1-3H3,(H,36,38,39)/t19-,23+/m1/s1
• InChIKey: RBMNXEUXFWHSCH-XXBNENTESA-N
• XLogP: 6.89
• TPSA: 84.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.72
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine?

The IUPAC name of 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine (CID 159571621) is 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine is Cc1nc(CCc2c(F)ccc3c(Oc4ncccc4-c4ccnc(N[C@@H]5CNC[C@H](C)C5)n4)c(C)ccc23)cs1.

What is the InChIKey of 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine?

The InChIKey is RBMNXEUXFWHSCH-XXBNENTESA-N. The full InChI is InChI=1S/C32H33FN6OS/c1-19-15-23(17-34-16-19)38-32-36-14-12-29(39-32)27-5-4-13-35-31(27)40-30-20(2)6-8-24-25(28(33)11-10-26(24)30)9-7-22-18-41-21(3)37-22/h4-6,8,10-14,18-19,23,34H,7,9,15-17H2,1-3H3,(H,36,38,39)/t19-,23+/m1/s1.

What are the key properties of 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine?

4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 568.72 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-fluoro-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-1-yl]oxy-3-pyridinyl]-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 159571621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).