4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

C22H25FN4 — CID 95830176

IUPAC4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C22H25FN4/c1-16-11-19(18-6-8-20(23)9-7-18)12-21(25-16)22-5-3-4-10-27(22)15-17-13-24-26(2)14-17/h6-9,11-14,22H,3-5,10,15H2,1-2H3/t22-/m1/s1
InChIKeyLPBUZELZPOMTRU-JOCHJYFZSA-N
MW364.47 g/mol
LogP4.66
Rot. Bonds4

About 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (PubChem CID 95830176) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
PubChem CID95830176
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C22H25FN4/c1-16-11-19(18-6-8-20(23)9-7-18)12-21(25-16)22-5-3-4-10-27(22)15-17-13-24-26(2)14-17/h6-9,11-14,22H,3-5,10,15H2,1-2H3/t22-/m1/s1
InChIKeyLPBUZELZPOMTRU-JOCHJYFZSA-N
XLogP4.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (CID 95830176) is 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2Cc2cnn(C)c2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The InChIKey is LPBUZELZPOMTRU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25FN4/c1-16-11-19(18-6-8-20(23)9-7-18)12-21(25-16)22-5-3-4-10-27(22)15-17-13-24-26(2)14-17/h6-9,11-14,22H,3-5,10,15H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine has a molecular weight of 364.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 95830176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).