3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine

C22H25FN4O — CID 122625464

IUPAC3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
SMILESCc1cc(-c2ccn[nH]2)c(F)c(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C22H25FN4O/c1-16-15-19(20-9-10-24-26-20)21(23)22(25-16)17-5-7-18(8-6-17)28-14-13-27-11-3-2-4-12-27/h5-10,15H,2-4,11-14H2,1H3,(H,24,26)
InChIKeyRUUBOGTUHAPRTQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.45
Rot. Bonds6

About 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine

3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine (PubChem CID 122625464) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
PubChem CID122625464
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
SMILESCc1cc(-c2ccn[nH]2)c(F)c(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C22H25FN4O/c1-16-15-19(20-9-10-24-26-20)21(23)22(25-16)17-5-7-18(8-6-17)28-14-13-27-11-3-2-4-12-27/h5-10,15H,2-4,11-14H2,1H3,(H,24,26)
InChIKeyRUUBOGTUHAPRTQ-UHFFFAOYSA-N
XLogP4.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine (CID 122625464) is 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine is Cc1cc(-c2ccn[nH]2)c(F)c(-c2ccc(OCCN3CCCCC3)cc2)n1.
What is the InChIKey of 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine?
The InChIKey is RUUBOGTUHAPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-16-15-19(20-9-10-24-26-20)21(23)22(25-16)17-5-7-18(8-6-17)28-14-13-27-11-3-2-4-12-27/h5-10,15H,2-4,11-14H2,1H3,(H,24,26).
What are the key properties of 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine?
3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine has a molecular weight of 380.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 122625464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).