4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine

C22H25FN4 — CID 95832568

IUPAC4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1
InChIInChI=1S/C22H25FN4/c1-16-12-18(13-17-5-7-19(23)8-6-17)14-21(25-16)22-4-3-11-27(22)15-20-9-10-24-26(20)2/h5-10,12,14,22H,3-4,11,13,15H2,1-2H3/t22-/m0/s1
InChIKeyBJSAEERPPZMOHT-QFIPXVFZSA-N
MW364.47 g/mol
LogP4.19
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine

4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 95832568) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID95832568
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1
InChIInChI=1S/C22H25FN4/c1-16-12-18(13-17-5-7-19(23)8-6-17)14-21(25-16)22-4-3-11-27(22)15-20-9-10-24-26(20)2/h5-10,12,14,22H,3-4,11,13,15H2,1-2H3/t22-/m0/s1
InChIKeyBJSAEERPPZMOHT-QFIPXVFZSA-N
XLogP4.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine (CID 95832568) is 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine is Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is BJSAEERPPZMOHT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25FN4/c1-16-12-18(13-17-5-7-19(23)8-6-17)14-21(25-16)22-4-3-11-27(22)15-20-9-10-24-26(20)2/h5-10,12,14,22H,3-4,11,13,15H2,1-2H3/t22-/m0/s1.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 364.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95832568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).