4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide

C27H27ClN4O3 — CID 135281680

IUPAC4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCN5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C27H27ClN4O3/c1-34-24-14-25(35-2)22(28)13-21(24)23-16-32-11-9-19(12-26(32)31-23)17-5-7-18(8-6-17)27(33)30-15-20-4-3-10-29-20/h5-9,11-14,16,20,29H,3-4,10,15H2,1-2H3,(H,30,33)
InChIKeyXRPRXSLJXCEICJ-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.82
Rot. Bonds7

About 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide

4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 135281680) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID135281680
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCN5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C27H27ClN4O3/c1-34-24-14-25(35-2)22(28)13-21(24)23-16-32-11-9-19(12-26(32)31-23)17-5-7-18(8-6-17)27(33)30-15-20-4-3-10-29-20/h5-9,11-14,16,20,29H,3-4,10,15H2,1-2H3,(H,30,33)
InChIKeyXRPRXSLJXCEICJ-UHFFFAOYSA-N
XLogP4.82
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 135281680) is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide is COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCCN5)cc4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is XRPRXSLJXCEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O3/c1-34-24-14-25(35-2)22(28)13-21(24)23-16-32-11-9-19(12-26(32)31-23)17-5-7-18(8-6-17)27(33)30-15-20-4-3-10-29-20/h5-9,11-14,16,20,29H,3-4,10,15H2,1-2H3,(H,30,33).
What are the key properties of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide?
4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 490.99 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 135281680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).