2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine

C24H24F5N9 — CID 175846268

About 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine

2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine (PubChem CID 175846268) has the molecular formula C24H24F5N9 and a molecular weight of 533.51 g/mol. Its IUPAC name is 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine
• PubChem CID: 175846268
• Molecular Formula: C24H24F5N9
• Molecular Weight: 533.51 g/mol
• Exact Mass: 533.21
• IUPAC Name: 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine
• SMILES: FC(F)Cn1cc(-c2nccc(Nc3cc(NC4CCC(F)CC4)c(-c4ccn(C(F)F)n4)cn3)n2)cn1
• InChI: InChI=1S/C24H24F5N9/c25-15-1-3-16(4-2-15)33-19-9-22(31-11-17(19)18-6-8-38(36-18)24(28)29)34-21-5-7-30-23(35-21)14-10-32-37(12-14)13-20(26)27/h5-12,15-16,20,24H,1-4,13H2,(H2,30,31,33,34,35)
• InChIKey: VJPJSXACSURVEN-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.51
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine?

The IUPAC name of 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine (CID 175846268) is 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine.

What is the SMILES notation for 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine?

The canonical SMILES for 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine is FC(F)Cn1cc(-c2nccc(Nc3cc(NC4CCC(F)CC4)c(-c4ccn(C(F)F)n4)cn3)n2)cn1.

What is the InChIKey of 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine?

The InChIKey is VJPJSXACSURVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N9/c25-15-1-3-16(4-2-15)33-19-9-22(31-11-17(19)18-6-8-38(36-18)24(28)29)34-21-5-7-30-23(35-21)14-10-32-37(12-14)13-20(26)27/h5-12,15-16,20,24H,1-4,13H2,(H2,30,31,33,34,35).

What are the key properties of 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine?

2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine has a molecular weight of 533.51 g/mol, XLogP of 5.70, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]-4-N-(4-fluorocyclohexyl)pyridine-2,4-diamine is sourced from PubChem (CID 175846268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).