2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine

C26H23F4N5 — CID 56597749

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(C(F)(F)F)ccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C26H23F4N5/c1-34-8-5-22(6-9-34)35-16-20(15-33-35)19-10-18(13-31-14-19)17-4-7-32-25(11-17)23-12-21(26(28,29)30)2-3-24(23)27/h2-4,7,10-16,22H,5-6,8-9H2,1H3
InChIKeyZUGBACJJWGHEGR-UHFFFAOYSA-N
MW481.50 g/mol
LogP6.10
Rot. Bonds4

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine

2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine (PubChem CID 56597749) has the molecular formula C26H23F4N5 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
PubChem CID56597749
Molecular FormulaC26H23F4N5
Molecular Weight481.50 g/mol
Exact Mass481.19
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(C(F)(F)F)ccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C26H23F4N5/c1-34-8-5-22(6-9-34)35-16-20(15-33-35)19-10-18(13-31-14-19)17-4-7-32-25(11-17)23-12-21(26(28,29)30)2-3-24(23)27/h2-4,7,10-16,22H,5-6,8-9H2,1H3
InChIKeyZUGBACJJWGHEGR-UHFFFAOYSA-N
XLogP6.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine (CID 56597749) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine is CN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(C(F)(F)F)ccc5F)c4)c3)cn2)CC1.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The InChIKey is ZUGBACJJWGHEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5/c1-34-8-5-22(6-9-34)35-16-20(15-33-35)19-10-18(13-31-14-19)17-4-7-32-25(11-17)23-12-21(26(28,29)30)2-3-24(23)27/h2-4,7,10-16,22H,5-6,8-9H2,1H3.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine has a molecular weight of 481.50 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine is sourced from PubChem (CID 56597749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).