N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine

C22H18F3N5 — CID 166527368

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 166527368) has the molecular formula C22H18F3N5 and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 166527368
• Molecular Formula: C22H18F3N5
• Molecular Weight: 409.42 g/mol
• Exact Mass: 409.15
• IUPAC Name: N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
• SMILES: Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(-c3cccnc3)cnc2n1
• InChI: InChI=1S/C22H18F3N5/c1-12(16-6-3-7-17(19(16)23)20(24)25)28-22-18-9-15(14-5-4-8-26-10-14)11-27-21(18)29-13(2)30-22/h3-12,20H,1-2H3,(H,27,28,29,30)/t12-/m1/s1
• InChIKey: ZOSFTCQNVCKOFD-GFCCVEGCSA-N
• XLogP: 5.65
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.42
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine (CID 166527368) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cc(-c3cccnc3)cnc2n1.

What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is ZOSFTCQNVCKOFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H18F3N5/c1-12(16-6-3-7-17(19(16)23)20(24)25)28-22-18-9-15(14-5-4-8-26-10-14)11-27-21(18)29-13(2)30-22/h3-12,20H,1-2H3,(H,27,28,29,30)/t12-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 409.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166527368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).