6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine

C25H30F3N5O — CID 176570370

IUPAC6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine
SMILESCOC(C)CN1CCC(Nc2cnc(F)c(-c3cnn(-c4cc(C)c(F)cc4C)c3)c2)C(F)C1
InChIInChI=1S/C25H30F3N5O/c1-15-8-24(16(2)7-21(15)26)33-13-18(10-30-33)20-9-19(11-29-25(20)28)31-23-5-6-32(14-22(23)27)12-17(3)34-4/h7-11,13,17,22-23,31H,5-6,12,14H2,1-4H3
InChIKeyHVBXZYBZWMUBAX-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.69
Rot. Bonds7

About 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine

6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine (PubChem CID 176570370) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine
PubChem CID176570370
Molecular FormulaC25H30F3N5O
Molecular Weight473.54 g/mol
Exact Mass473.24
IUPAC Name6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine
SMILESCOC(C)CN1CCC(Nc2cnc(F)c(-c3cnn(-c4cc(C)c(F)cc4C)c3)c2)C(F)C1
InChIInChI=1S/C25H30F3N5O/c1-15-8-24(16(2)7-21(15)26)33-13-18(10-30-33)20-9-19(11-29-25(20)28)31-23-5-6-32(14-22(23)27)12-17(3)34-4/h7-11,13,17,22-23,31H,5-6,12,14H2,1-4H3
InChIKeyHVBXZYBZWMUBAX-UHFFFAOYSA-N
XLogP4.69
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine?
The IUPAC name of 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine (CID 176570370) is 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine is COC(C)CN1CCC(Nc2cnc(F)c(-c3cnn(-c4cc(C)c(F)cc4C)c3)c2)C(F)C1.
What is the InChIKey of 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine?
The InChIKey is HVBXZYBZWMUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O/c1-15-8-24(16(2)7-21(15)26)33-13-18(10-30-33)20-9-19(11-29-25(20)28)31-23-5-6-32(14-22(23)27)12-17(3)34-4/h7-11,13,17,22-23,31H,5-6,12,14H2,1-4H3.
What are the key properties of 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine?
6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine has a molecular weight of 473.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[1-(4-fluoro-2,5-dimethylphenyl)pyrazol-4-yl]-N-[3-fluoro-1-(2-methoxypropyl)piperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 176570370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).