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

C46H37N5O2S — CID 68811500

IUPAC2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nn(C(c4ccccc4)(c4ccccc4)C4C=CC=CC4)cc3-c3ccc4ncc(-c5nccs5)n4c3)cc2)cc1OC
InChIInChI=1S/C46H37N5O2S/c1-52-41-24-22-34(28-42(41)53-2)32-18-20-33(21-19-32)44-39(35-23-25-43-48-29-40(50(43)30-35)45-47-26-27-54-45)31-51(49-44)46(36-12-6-3-7-13-36,37-14-8-4-9-15-37)38-16-10-5-11-17-38/h3-16,18-31,38H,17H2,1-2H3
InChIKeyUJKUCTLVVXCQSQ-UHFFFAOYSA-N
MW723.90 g/mol
LogP10.60
Rot. Bonds10

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

2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 68811500) has the molecular formula C46H37N5O2S and a molecular weight of 723.90 g/mol. Its IUPAC name is 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID68811500
Molecular FormulaC46H37N5O2S
Molecular Weight723.90 g/mol
Exact Mass723.27
IUPAC Name2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3nn(C(c4ccccc4)(c4ccccc4)C4C=CC=CC4)cc3-c3ccc4ncc(-c5nccs5)n4c3)cc2)cc1OC
InChIInChI=1S/C46H37N5O2S/c1-52-41-24-22-34(28-42(41)53-2)32-18-20-33(21-19-32)44-39(35-23-25-43-48-29-40(50(43)30-35)45-47-26-27-54-45)31-51(49-44)46(36-12-6-3-7-13-36,37-14-8-4-9-15-37)38-16-10-5-11-17-38/h3-16,18-31,38H,17H2,1-2H3
InChIKeyUJKUCTLVVXCQSQ-UHFFFAOYSA-N
XLogP10.60
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.90
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 68811500) is 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is COc1ccc(-c2ccc(-c3nn(C(c4ccccc4)(c4ccccc4)C4C=CC=CC4)cc3-c3ccc4ncc(-c5nccs5)n4c3)cc2)cc1OC.
What is the InChIKey of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is UJKUCTLVVXCQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N5O2S/c1-52-41-24-22-34(28-42(41)53-2)32-18-20-33(21-19-32)44-39(35-23-25-43-48-29-40(50(43)30-35)45-47-26-27-54-45)31-51(49-44)46(36-12-6-3-7-13-36,37-14-8-4-9-15-37)38-16-10-5-11-17-38/h3-16,18-31,38H,17H2,1-2H3.
What are the key properties of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 723.90 g/mol, XLogP of 10.60, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 68811500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).