2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine

C25H23ClFN5 — CID 56597750

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C25H23ClFN5/c1-31-8-5-22(6-9-31)32-16-20(15-30-32)19-10-18(13-28-14-19)17-4-7-29-25(11-17)23-12-21(26)2-3-24(23)27/h2-4,7,10-16,22H,5-6,8-9H2,1H3
InChIKeyQOBNUKVVFHNWLI-UHFFFAOYSA-N
MW447.95 g/mol
LogP5.73
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine

2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine (PubChem CID 56597750) has the molecular formula C25H23ClFN5 and a molecular weight of 447.95 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
PubChem CID56597750
Molecular FormulaC25H23ClFN5
Molecular Weight447.95 g/mol
Exact Mass447.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine
SMILESCN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C25H23ClFN5/c1-31-8-5-22(6-9-31)32-16-20(15-30-32)19-10-18(13-28-14-19)17-4-7-29-25(11-17)23-12-21(26)2-3-24(23)27/h2-4,7,10-16,22H,5-6,8-9H2,1H3
InChIKeyQOBNUKVVFHNWLI-UHFFFAOYSA-N
XLogP5.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine (CID 56597750) is 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine is CN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(Cl)ccc5F)c4)c3)cn2)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
The InChIKey is QOBNUKVVFHNWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5/c1-31-8-5-22(6-9-31)32-16-20(15-30-32)19-10-18(13-28-14-19)17-4-7-29-25(11-17)23-12-21(26)2-3-24(23)27/h2-4,7,10-16,22H,5-6,8-9H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine has a molecular weight of 447.95 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]pyridine is sourced from PubChem (CID 56597750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).