3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde

C21H16N4O — CID 145048661

IUPAC3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N4O/c26-15-17-11-12-22-14-20(17)23-21-13-19(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15,23H
InChIKeyIZHMBESMASSPSB-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.49
Rot. Bonds5

About 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde

3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde (PubChem CID 145048661) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde
PubChem CID145048661
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N4O/c26-15-17-11-12-22-14-20(17)23-21-13-19(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15,23H
InChIKeyIZHMBESMASSPSB-UHFFFAOYSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
4-amino-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518503
US10774086, Example 7
CID 134551551
US10774086, Example 2
CID 134551579
US10774086, Example 9
CID 134551591
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137174995
8-[4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175180
8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 138393334

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde?
The IUPAC name of 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde (CID 145048661) is 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde?
The canonical SMILES for 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde is O=Cc1ccncc1Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde?
The InChIKey is IZHMBESMASSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-15-17-11-12-22-14-20(17)23-21-13-19(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15,23H.
What are the key properties of 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde?
3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde has a molecular weight of 340.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diphenylpyrazol-5-yl)amino]pyridine-4-carbaldehyde is sourced from PubChem (CID 145048661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).