methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

C30H35N3O4S — CID 71124627

IUPACmethyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
SMILESCOCCN(C(=O)C1CCC(C)CC1)c1cc(C2=CCC(c3cn4ccccc4n3)C=C2)sc1C(=O)OC
InChIInChI=1S/C30H35N3O4S/c1-20-7-9-23(10-8-20)29(34)33(16-17-36-2)25-18-26(38-28(25)30(35)37-3)22-13-11-21(12-14-22)24-19-32-15-5-4-6-27(32)31-24/h4-6,11,13-15,18-21,23H,7-10,12,16-17H2,1-3H3
InChIKeyTYOZFRFKNSQDFL-UHFFFAOYSA-N
MW533.69 g/mol
LogP6.12
Rot. Bonds8

About methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate (PubChem CID 71124627) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
PubChem CID71124627
Molecular FormulaC30H35N3O4S
Molecular Weight533.69 g/mol
Exact Mass533.23
IUPAC Namemethyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
SMILESCOCCN(C(=O)C1CCC(C)CC1)c1cc(C2=CCC(c3cn4ccccc4n3)C=C2)sc1C(=O)OC
InChIInChI=1S/C30H35N3O4S/c1-20-7-9-23(10-8-20)29(34)33(16-17-36-2)25-18-26(38-28(25)30(35)37-3)22-13-11-21(12-14-22)24-19-32-15-5-4-6-27(32)31-24/h4-6,11,13-15,18-21,23H,7-10,12,16-17H2,1-3H3
InChIKeyTYOZFRFKNSQDFL-UHFFFAOYSA-N
XLogP6.12
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.69
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]thiophene-2-carboxylic acid
CID 71124985
3-[2-ethoxyethyl-(4-ethynylcyclohexanecarbonyl)amino]-5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxylic acid
CID 143623852
methyl 3-[(4-methylcyclohexanecarbonyl)-(2-morpholin-4-yl-2-oxoethyl)amino]-5-(4-phenoxyphenyl)thiophene-2-carboxylate
CID 66652397
methyl 3-[(1-acetylpiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752293
methyl 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(4-pyridin-2-ylphenyl)thiophene-2-carboxylate
CID 71055048
methyl 3-[(4-methylcyclohexanecarbonyl)-(thian-4-yl)amino]-5-phenylthiophene-2-carboxylate
CID 59752302
methyl 3-[(2,4-dichlorobenzoyl)-(2-methoxyethyl)amino]-5-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)thiophene-2-carboxylate
CID 71104160
methyl 3-[(4-methylcyclohexanecarbonyl)-(4-methylidenecyclohexyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752338
methyl 3-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 58423022
3-[ethyl-(4-methylcyclohexanecarbonyl)amino]-5-[4-[(1-tritylpyrazole-3-carbonyl)amino]phenyl]thiophene-2-carboxylic acid
CID 69009891
CID 58664441
CID 58664441
methyl 5-boranyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 145493279

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate (CID 71124627) is methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate is COCCN(C(=O)C1CCC(C)CC1)c1cc(C2=CCC(c3cn4ccccc4n3)C=C2)sc1C(=O)OC.
What is the InChIKey of methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
The InChIKey is TYOZFRFKNSQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4S/c1-20-7-9-23(10-8-20)29(34)33(16-17-36-2)25-18-26(38-28(25)30(35)37-3)22-13-11-21(12-14-22)24-19-32-15-5-4-6-27(32)31-24/h4-6,11,13-15,18-21,23H,7-10,12,16-17H2,1-3H3.
What are the key properties of methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate has a molecular weight of 533.69 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-imidazo[1,2-a]pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 71124627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).