N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide

C26H29F2N7O3S — CID 123277885

About N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide

N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide (PubChem CID 123277885) has the molecular formula C26H29F2N7O3S and a molecular weight of 557.63 g/mol. Its IUPAC name is N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide
• PubChem CID: 123277885
• Molecular Formula: C26H29F2N7O3S
• Molecular Weight: 557.63 g/mol
• Exact Mass: 557.20
• IUPAC Name: N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide
• SMILES: CC(C)C(CN(C)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)NS(=O)(=O)C1CC1
• InChI: InChI=1S/C26H29F2N7O3S/c1-16(2)23(33-39(36,37)18-8-9-18)15-34(3)26-20(28)13-29-25(30-26)22-12-24(21-10-11-38-32-21)35(31-22)14-17-6-4-5-7-19(17)27/h4-7,10-13,16,18,23,33H,8-9,14-15H2,1-3H3
• InChIKey: AVZYREPUYSVSLP-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.63
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide?

The IUPAC name of N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide (CID 123277885) is N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide.

What is the SMILES notation for N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide?

The canonical SMILES for N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide is CC(C)C(CN(C)c1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)NS(=O)(=O)C1CC1.

What is the InChIKey of N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide?

The InChIKey is AVZYREPUYSVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O3S/c1-16(2)23(33-39(36,37)18-8-9-18)15-34(3)26-20(28)13-29-25(30-26)22-12-24(21-10-11-38-32-21)35(31-22)14-17-6-4-5-7-19(17)27/h4-7,10-13,16,18,23,33H,8-9,14-15H2,1-3H3.

What are the key properties of N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide?

N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide has a molecular weight of 557.63 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-methylamino]-3-methylbutan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 123277885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).