(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C20H21N5O3 — CID 97193889

IUPAC(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)O
InChIInChI=1S/C20H21N5O3/c1-12-15(13(2)25(23-12)14-6-4-3-5-7-14)10-17(26)24-9-8-16-18(22-11-21-16)19(24)20(27)28/h3-7,11,19H,8-10H2,1-2H3,(H,21,22)(H,27,28)/t19-/m0/s1
InChIKeyDCJMXTYXSSNYAH-IBGZPJMESA-N
MW379.42 g/mol
LogP1.97
Rot. Bonds4

About (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 97193889) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID97193889
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)O
InChIInChI=1S/C20H21N5O3/c1-12-15(13(2)25(23-12)14-6-4-3-5-7-14)10-17(26)24-9-8-16-18(22-11-21-16)19(24)20(27)28/h3-7,11,19H,8-10H2,1-2H3,(H,21,22)(H,27,28)/t19-/m0/s1
InChIKeyDCJMXTYXSSNYAH-IBGZPJMESA-N
XLogP1.97
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid 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

(2R)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119370730
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 119437515
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 94486758
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 56818581
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95893975
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9225031
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 55527465
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 133138621

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 97193889) is (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)O.
What is the InChIKey of (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is DCJMXTYXSSNYAH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-15(13(2)25(23-12)14-6-4-3-5-7-14)10-17(26)24-9-8-16-18(22-11-21-16)19(24)20(27)28/h3-7,11,19H,8-10H2,1-2H3,(H,21,22)(H,27,28)/t19-/m0/s1.
What are the key properties of (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 97193889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).