4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H23N5O — CID 56709470

IUPAC4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCN1CCc2[nH]cnc2C1c1cn[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C19H23N5O/c1-3-9-24-10-8-16-18(21-12-20-16)19(24)15-11-22-23-17(15)13-4-6-14(25-2)7-5-13/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXXTBTXIVRUQVIF-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.17
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56709470) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56709470
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCN1CCc2[nH]cnc2C1c1cn[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C19H23N5O/c1-3-9-24-10-8-16-18(21-12-20-16)19(24)15-11-22-23-17(15)13-4-6-14(25-2)7-5-13/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXXTBTXIVRUQVIF-UHFFFAOYSA-N
XLogP3.17
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46978828
2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
CID 95210798
3-[5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165423225
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94514892
4-[(4R)-5-[(1-propylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]quinoline
CID 95197850
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92588449
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92595424
5-(2-phenylethyl)-4-(1-propylimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56871437
(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551394

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56709470) is 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCN1CCc2[nH]cnc2C1c1cn[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XXTBTXIVRUQVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-9-24-10-8-16-18(21-12-20-16)19(24)15-11-22-23-17(15)13-4-6-14(25-2)7-5-13/h4-7,11-12,19H,3,8-10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 337.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56709470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).