4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

C43H30N6O — CID 22031619

IUPAC4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESN#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3c2)cc1
InChIInChI=1S/C43H30N6O/c44-26-30-16-18-32(19-17-30)41-38(34-24-25-40-46-27-39(48(40)28-34)31-20-22-33(23-21-31)42(45)50)29-49(47-41)43(35-10-4-1-5-11-35,36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-25,27-29H,(H2,45,50)
InChIKeyWYSDUDQHPRQJPS-UHFFFAOYSA-N
MW646.75 g/mol
LogP8.34
Rot. Bonds8

About 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 22031619) has the molecular formula C43H30N6O and a molecular weight of 646.75 g/mol. Its IUPAC name is 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID22031619
Molecular FormulaC43H30N6O
Molecular Weight646.75 g/mol
Exact Mass646.25
IUPAC Name4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESN#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3c2)cc1
InChIInChI=1S/C43H30N6O/c44-26-30-16-18-32(19-17-30)41-38(34-24-25-40-46-27-39(48(40)28-34)31-20-22-33(23-21-31)42(45)50)29-49(47-41)43(35-10-4-1-5-11-35,36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-25,27-29H,(H2,45,50)
InChIKeyWYSDUDQHPRQJPS-UHFFFAOYSA-N
XLogP8.34
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.75
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 22031619) is 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide is N#Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3c2)cc1.
What is the InChIKey of 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is WYSDUDQHPRQJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N6O/c44-26-30-16-18-32(19-17-30)41-38(34-24-25-40-46-27-39(48(40)28-34)31-20-22-33(23-21-31)42(45)50)29-49(47-41)43(35-10-4-1-5-11-35,36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-25,27-29H,(H2,45,50).
What are the key properties of 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 646.75 g/mol, XLogP of 8.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 22031619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).