2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide

C35H39ClN4O4 — CID 70164085

About 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide

2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide (PubChem CID 70164085) has the molecular formula C35H39ClN4O4 and a molecular weight of 615.17 g/mol. Its IUPAC name is 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
• PubChem CID: 70164085
• Molecular Formula: C35H39ClN4O4
• Molecular Weight: 615.17 g/mol
• Exact Mass: 614.27
• IUPAC Name: 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
• SMILES: COc1ccc(-c2cccnc2)cc1CC1C(CN(CCC(C)C)C(=O)c2ccc(OC)c(OC)c2Cl)N=C2C=CC=CN21
• InChI: InChI=1S/C35H39ClN4O4/c1-23(2)15-18-39(35(41)27-12-14-31(43-4)34(44-5)33(27)36)22-28-29(40-17-7-6-10-32(40)38-28)20-26-19-24(11-13-30(26)42-3)25-9-8-16-37-21-25/h6-14,16-17,19,21,23,28-29H,15,18,20,22H2,1-5H3
• InChIKey: DWGSDNRPMKYSKU-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 76.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.17
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?

The IUPAC name of 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide (CID 70164085) is 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide.

What is the SMILES notation for 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?

The canonical SMILES for 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide is COc1ccc(-c2cccnc2)cc1CC1C(CN(CCC(C)C)C(=O)c2ccc(OC)c(OC)c2Cl)N=C2C=CC=CN21.

What is the InChIKey of 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?

The InChIKey is DWGSDNRPMKYSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39ClN4O4/c1-23(2)15-18-39(35(41)27-12-14-31(43-4)34(44-5)33(27)36)22-28-29(40-17-7-6-10-32(40)38-28)20-26-19-24(11-13-30(26)42-3)25-9-8-16-37-21-25/h6-14,16-17,19,21,23,28-29H,15,18,20,22H2,1-5H3.

What are the key properties of 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide?

2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide has a molecular weight of 615.17 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3,4-dimethoxy-N-[[3-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 70164085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).