6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

C23H24ClF4N5 — CID 166678029

About 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (PubChem CID 166678029) has the molecular formula C23H24ClF4N5 and a molecular weight of 481.93 g/mol. Its IUPAC name is 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
• PubChem CID: 166678029
• Molecular Formula: C23H24ClF4N5
• Molecular Weight: 481.93 g/mol
• Exact Mass: 481.17
• IUPAC Name: 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
• SMILES: Cc1cc(Nc2cc(C(F)F)c(F)c(CC3CCN(Cc4cccc(Cl)c4F)CC3)n2)n[nH]1
• InChI: InChI=1S/C23H24ClF4N5/c1-13-9-20(32-31-13)30-19-11-16(23(27)28)22(26)18(29-19)10-14-5-7-33(8-6-14)12-15-3-2-4-17(24)21(15)25/h2-4,9,11,14,23H,5-8,10,12H2,1H3,(H2,29,30,31,32)
• InChIKey: VFRGEYDBFHMMBM-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.93
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

The IUPAC name of 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (CID 166678029) is 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

The canonical SMILES for 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is Cc1cc(Nc2cc(C(F)F)c(F)c(CC3CCN(Cc4cccc(Cl)c4F)CC3)n2)n[nH]1.

What is the InChIKey of 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

The InChIKey is VFRGEYDBFHMMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF4N5/c1-13-9-20(32-31-13)30-19-11-16(23(27)28)22(26)18(29-19)10-14-5-7-33(8-6-14)12-15-3-2-4-17(24)21(15)25/h2-4,9,11,14,23H,5-8,10,12H2,1H3,(H2,29,30,31,32).

What are the key properties of 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine has a molecular weight of 481.93 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 166678029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).