4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine

C21H23FN4 — CID 92617266

IUPAC4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C21H23FN4/c1-15-11-17(12-16-4-6-18(22)7-5-16)13-19(25-15)20-3-2-10-26(20)14-21-23-8-9-24-21/h4-9,11,13,20H,2-3,10,12,14H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyHDRYPNDPHSGRLH-HXUWFJFHSA-N
MW350.44 g/mol
LogP4.18
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine

4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine (PubChem CID 92617266) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine
PubChem CID92617266
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine
SMILESCc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C21H23FN4/c1-15-11-17(12-16-4-6-18(22)7-5-16)13-19(25-15)20-3-2-10-26(20)14-21-23-8-9-24-21/h4-9,11,13,20H,2-3,10,12,14H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyHDRYPNDPHSGRLH-HXUWFJFHSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95832568
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95832569
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
4-[(4-chlorophenyl)methyl]-2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 110262687
4-(azepan-1-yl)-1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
CID 92615219
2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
CID 95844172
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92616786
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 92617216
N,N,2-trimethyl-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyridin-4-amine
CID 110256927
4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110518
2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanamine
CID 69351109

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine (CID 92617266) is 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine is Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine?
The InChIKey is HDRYPNDPHSGRLH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23FN4/c1-15-11-17(12-16-4-6-18(22)7-5-16)13-19(25-15)20-3-2-10-26(20)14-21-23-8-9-24-21/h4-9,11,13,20H,2-3,10,12,14H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine?
4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine has a molecular weight of 350.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine is sourced from PubChem (CID 92617266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).