methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate

C36H29N5O2 — CID 68812029

IUPACmethyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)c4)cn23)nc1
InChIInChI=1S/C36H29N5O2/c1-43-35(42)26-17-19-32(37-21-26)33-23-38-34-20-18-27(24-40(33)34)28-22-39-41(25-28)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-15,17-25,31H,16H2,1H3
InChIKeyQISRZXYTPJASAZ-UHFFFAOYSA-N
MW563.66 g/mol
LogP6.97
Rot. Bonds7

About methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate

methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate (PubChem CID 68812029) has the molecular formula C36H29N5O2 and a molecular weight of 563.66 g/mol. Its IUPAC name is methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate
PubChem CID68812029
Molecular FormulaC36H29N5O2
Molecular Weight563.66 g/mol
Exact Mass563.23
IUPAC Namemethyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)c4)cn23)nc1
InChIInChI=1S/C36H29N5O2/c1-43-35(42)26-17-19-32(37-21-26)33-23-38-34-20-18-27(24-40(33)34)28-22-39-41(25-28)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-15,17-25,31H,16H2,1H3
InChIKeyQISRZXYTPJASAZ-UHFFFAOYSA-N
XLogP6.97
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate 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 methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate (CID 68812029) is methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)c4)cn23)nc1.
What is the InChIKey of methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
The InChIKey is QISRZXYTPJASAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N5O2/c1-43-35(42)26-17-19-32(37-21-26)33-23-38-34-20-18-27(24-40(33)34)28-22-39-41(25-28)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-15,17-25,31H,16H2,1H3.
What are the key properties of methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate has a molecular weight of 563.66 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 68812029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).