3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C33H30BrCl2N7O4 — CID 18923552

IUPAC3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)Cc5cccnc5)c4)c3Cl)cccn2c1Br
InChIInChI=1S/C33H30BrCl2N7O4/c1-20-30(34)43-14-6-10-27(31(43)39-20)47-19-24-25(35)11-12-26(29(24)36)42(3)28(44)17-38-33(46)40-23-9-4-8-22(15-23)32(45)41(2)18-21-7-5-13-37-16-21/h4-16H,17-19H2,1-3H3,(H2,38,40,46)
InChIKeySNKAJANOKSHPJS-UHFFFAOYSA-N
MW739.46 g/mol
LogP6.74
Rot. Bonds10

About 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide

3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 18923552) has the molecular formula C33H30BrCl2N7O4 and a molecular weight of 739.46 g/mol. Its IUPAC name is 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID18923552
Molecular FormulaC33H30BrCl2N7O4
Molecular Weight739.46 g/mol
Exact Mass737.09
IUPAC Name3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)Cc5cccnc5)c4)c3Cl)cccn2c1Br
InChIInChI=1S/C33H30BrCl2N7O4/c1-20-30(34)43-14-6-10-27(31(43)39-20)47-19-24-25(35)11-12-26(29(24)36)42(3)28(44)17-38-33(46)40-23-9-4-8-22(15-23)32(45)41(2)18-21-7-5-13-37-16-21/h4-16H,17-19H2,1-3H3,(H2,38,40,46)
InChIKeySNKAJANOKSHPJS-UHFFFAOYSA-N
XLogP6.74
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.46
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide 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 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 18923552) is 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)Cc5cccnc5)c4)c3Cl)cccn2c1Br.
What is the InChIKey of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SNKAJANOKSHPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30BrCl2N7O4/c1-20-30(34)43-14-6-10-27(31(43)39-20)47-19-24-25(35)11-12-26(29(24)36)42(3)28(44)17-38-33(46)40-23-9-4-8-22(15-23)32(45)41(2)18-21-7-5-13-37-16-21/h4-16H,17-19H2,1-3H3,(H2,38,40,46).
What are the key properties of 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 739.46 g/mol, XLogP of 6.74, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 18923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).