N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide

C25H22N4O — CID 72699979

IUPACN-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C25H22N4O/c30-25(28-23-4-2-1-3-5-23)19-8-6-18(7-9-19)17-29-13-12-21-14-20(10-11-24(21)29)22-15-26-27-16-22/h1-11,14-16H,12-13,17H2,(H,26,27)(H,28,30)
InChIKeyHPQFKCZRXCHKBF-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.89
Rot. Bonds5

About N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide

N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (PubChem CID 72699979) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
PubChem CID72699979
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C25H22N4O/c30-25(28-23-4-2-1-3-5-23)19-8-6-18(7-9-19)17-29-13-12-21-14-20(10-11-24(21)29)22-15-26-27-16-22/h1-11,14-16H,12-13,17H2,(H,26,27)(H,28,30)
InChIKeyHPQFKCZRXCHKBF-UHFFFAOYSA-N
XLogP4.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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CID 22933429
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CID 22933917
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CID 44549378
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The IUPAC name of N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide (CID 72699979) is N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide.
What is the SMILES notation for N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The canonical SMILES for N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is O=C(Nc1ccccc1)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.
What is the InChIKey of N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
The InChIKey is HPQFKCZRXCHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(28-23-4-2-1-3-5-23)19-8-6-18(7-9-19)17-29-13-12-21-14-20(10-11-24(21)29)22-15-26-27-16-22/h1-11,14-16H,12-13,17H2,(H,26,27)(H,28,30).
What are the key properties of N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide?
N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]benzamide is sourced from PubChem (CID 72699979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).