4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide

C22H22N4O2 — CID 153360602

IUPAC4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cn[nH]c4)cc3)ccc21
InChIInChI=1S/C22H22N4O2/c1-2-21(27)26-10-9-19-11-18(7-8-20(19)26)16-3-5-17(6-4-16)22(28)23-12-15-13-24-25-14-15/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,23,28)(H,24,25)
InChIKeyNYPMIDRLEKMZDX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.31
Rot. Bonds5

About 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide

4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 153360602) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID153360602
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cn[nH]c4)cc3)ccc21
InChIInChI=1S/C22H22N4O2/c1-2-21(27)26-10-9-19-11-18(7-8-20(19)26)16-3-5-17(6-4-16)22(28)23-12-15-13-24-25-14-15/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,23,28)(H,24,25)
InChIKeyNYPMIDRLEKMZDX-UHFFFAOYSA-N
XLogP3.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 153360602) is 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide is CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cn[nH]c4)cc3)ccc21.
What is the InChIKey of 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is NYPMIDRLEKMZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-21(27)26-10-9-19-11-18(7-8-20(19)26)16-3-5-17(6-4-16)22(28)23-12-15-13-24-25-14-15/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 153360602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).