(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C22H21N5O — CID 95229021

IUPAC(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NCCc3[nH]cnc32)cc1
InChIInChI=1S/C22H21N5O/c1-28-17-9-7-15(8-10-17)20-18(13-27(26-20)16-5-3-2-4-6-16)21-22-19(11-12-23-21)24-14-25-22/h2-10,13-14,21,23H,11-12H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyZVEKKRAMWRHODS-NRFANRHFSA-N
MW371.44 g/mol
LogP3.51
Rot. Bonds4

About (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95229021) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95229021
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NCCc3[nH]cnc32)cc1
InChIInChI=1S/C22H21N5O/c1-28-17-9-7-15(8-10-17)20-18(13-27(26-20)16-5-3-2-4-6-16)21-22-19(11-12-23-21)24-14-25-22/h2-10,13-14,21,23H,11-12H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyZVEKKRAMWRHODS-NRFANRHFSA-N
XLogP3.51
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinolin-4-one
CID 102470522
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-[2-[(2R)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 97354163
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
3-(4-methoxyphenyl)-4-[(3S)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 40920525
ethyl 4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4044060
ethyl (4R)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1284292
4-(2,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 4573266
1-[5-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 71600723
ethyl (6R)-3-(4-chlorophenyl)-6-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2537992
(2S)-3-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 2110827

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95229021) is (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NCCc3[nH]cnc32)cc1.
What is the InChIKey of (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is ZVEKKRAMWRHODS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-17-9-7-15(8-10-17)20-18(13-27(26-20)16-5-3-2-4-6-16)21-22-19(11-12-23-21)24-14-25-22/h2-10,13-14,21,23H,11-12H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 371.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95229021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).