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

IUPAC6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)F)c(F)c(CC3CCN(Cc4cccc(Cl)c4F)CC3)n2)n[nH]1
InChIInChI=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)
InChIKeyVFRGEYDBFHMMBM-UHFFFAOYSA-N
MW481.93 g/mol
LogP6.18
Rot. Bonds7

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 Name6-[[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 CID166678029
Molecular FormulaC23H24ClF4N5
Molecular Weight481.93 g/mol
Exact Mass481.17
IUPAC Name6-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-(difluoromethyl)-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)F)c(F)c(CC3CCN(Cc4cccc(Cl)c4F)CC3)n2)n[nH]1
InChIInChI=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)
InChIKeyVFRGEYDBFHMMBM-UHFFFAOYSA-N
XLogP6.18
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.93
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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).