2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide

C30H33FN6O3S — CID 135328766

About 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide

2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide (PubChem CID 135328766) has the molecular formula C30H33FN6O3S and a molecular weight of 576.70 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide
• PubChem CID: 135328766
• Molecular Formula: C30H33FN6O3S
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.23
• IUPAC Name: 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide
• SMILES: Cc1ccc2c(NS(=O)(=O)CCC3CC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
• InChI: InChI=1S/C30H33FN6O3S/c1-19-6-9-22-23(10-11-25(31)27(22)37-41(38,39)17-13-20-7-8-20)28(19)40-29-24(5-3-15-33-29)26-12-16-34-30(36-26)35-21-4-2-14-32-18-21/h3,5-6,9-12,15-16,20-21,32,37H,2,4,7-8,13-14,17-18H2,1H3,(H,34,35,36)
• InChIKey: GWXHIJTVADNLLH-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 118.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide?

The IUPAC name of 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide (CID 135328766) is 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide.

What is the SMILES notation for 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide?

The canonical SMILES for 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide is Cc1ccc2c(NS(=O)(=O)CCC3CC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.

What is the InChIKey of 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide?

The InChIKey is GWXHIJTVADNLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O3S/c1-19-6-9-22-23(10-11-25(31)27(22)37-41(38,39)17-13-20-7-8-20)28(19)40-29-24(5-3-15-33-29)26-12-16-34-30(36-26)35-21-4-2-14-32-18-21/h3,5-6,9-12,15-16,20-21,32,37H,2,4,7-8,13-14,17-18H2,1H3,(H,34,35,36).

What are the key properties of 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide?

2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide has a molecular weight of 576.70 g/mol, XLogP of 5.64, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]ethanesulfonamide is sourced from PubChem (CID 135328766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).