4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide

C26H25ClN4O3 — CID 135335226

IUPAC4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NC5CCNC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O3/c1-33-23-13-24(34-2)21(27)12-20(23)22-15-31-10-8-18(11-25(31)30-22)16-3-5-17(6-4-16)26(32)29-19-7-9-28-14-19/h3-6,8,10-13,15,19,28H,7,9,14H2,1-2H3,(H,29,32)
InChIKeyUKAWHOCJAQSMGV-UHFFFAOYSA-N
MW476.96 g/mol
LogP4.43
Rot. Bonds6

About 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide

4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide (PubChem CID 135335226) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
PubChem CID135335226
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NC5CCNC5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C26H25ClN4O3/c1-33-23-13-24(34-2)21(27)12-20(23)22-15-31-10-8-18(11-25(31)30-22)16-3-5-17(6-4-16)26(32)29-19-7-9-28-14-19/h3-6,8,10-13,15,19,28H,7,9,14H2,1-2H3,(H,29,32)
InChIKeyUKAWHOCJAQSMGV-UHFFFAOYSA-N
XLogP4.43
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.43
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-3-ylbenzamide?
The IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide (CID 135335226) is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide is COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NC5CCNC5)cc4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is UKAWHOCJAQSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-33-23-13-24(34-2)21(27)12-20(23)22-15-31-10-8-18(11-25(31)30-22)16-3-5-17(6-4-16)26(32)29-19-7-9-28-14-19/h3-6,8,10-13,15,19,28H,7,9,14H2,1-2H3,(H,29,32).
What are the key properties of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide?
4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 476.96 g/mol, XLogP of 4.43, 6 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-3-ylbenzamide is sourced from PubChem (CID 135335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).