5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H24FN5 — CID 70721371

IUPAC5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=CCn1cc(C2c3nc[nH]c3CCN2Cc2ccc(C)c(F)c2C)cn1
InChIInChI=1S/C21H24FN5/c1-4-8-27-12-17(10-25-27)21-20-18(23-13-24-20)7-9-26(21)11-16-6-5-14(2)19(22)15(16)3/h4-6,10,12-13,21H,1,7-9,11H2,2-3H3,(H,23,24)
InChIKeyRVIJNZBHMUXYDJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.70
Rot. Bonds5

About 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 70721371) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID70721371
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESC=CCn1cc(C2c3nc[nH]c3CCN2Cc2ccc(C)c(F)c2C)cn1
InChIInChI=1S/C21H24FN5/c1-4-8-27-12-17(10-25-27)21-20-18(23-13-24-20)7-9-26(21)11-16-6-5-14(2)19(22)15(16)3/h4-6,10,12-13,21H,1,7-9,11H2,2-3H3,(H,23,24)
InChIKeyRVIJNZBHMUXYDJ-UHFFFAOYSA-N
XLogP3.70
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 70774122
(4S)-4-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95889407
(4S)-5-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95219731
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 77095717
5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
(4S)-4-(1-methylpyrazol-4-yl)-5-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95223955
(4S)-5-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95190130
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709
5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 50968286
(4R)-5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95203763
(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95201436
(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95229839

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 70721371) is 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is C=CCn1cc(C2c3nc[nH]c3CCN2Cc2ccc(C)c(F)c2C)cn1.
What is the InChIKey of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RVIJNZBHMUXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-4-8-27-12-17(10-25-27)21-20-18(23-13-24-20)7-9-26(21)11-16-6-5-14(2)19(22)15(16)3/h4-6,10,12-13,21H,1,7-9,11H2,2-3H3,(H,23,24).
What are the key properties of 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 365.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2,4-dimethylphenyl)methyl]-4-(1-prop-2-enylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 70721371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).