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

C25H26ClN5O2 — CID 135334939

IUPAC1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NCc5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-7-19(11-25(31)29-22)30-9-6-18(15-30)28-14-17-5-3-4-8-27-17/h3-5,7-8,10-13,16,18,28H,6,9,14-15H2,1-2H3
InChIKeyHXEWJNRDBUHQDP-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.44
Rot. Bonds7

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

1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 135334939) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID135334939
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NCc5ccccn5)C4)cc3n2)cc1Cl
InChIInChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-7-19(11-25(31)29-22)30-9-6-18(15-30)28-14-17-5-3-4-8-27-17/h3-5,7-8,10-13,16,18,28H,6,9,14-15H2,1-2H3
InChIKeyHXEWJNRDBUHQDP-UHFFFAOYSA-N
XLogP4.44
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine (CID 135334939) is 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine is COc1cc(OC)c(-c2cn3ccc(N4CCC(NCc5ccccn5)C4)cc3n2)cc1Cl.
What is the InChIKey of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is HXEWJNRDBUHQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-32-23-13-24(33-2)21(26)12-20(23)22-16-31-10-7-19(11-25(31)29-22)30-9-6-18(15-30)28-14-17-5-3-4-8-27-17/h3-5,7-8,10-13,16,18,28H,6,9,14-15H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine?
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 463.97 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 135334939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).