3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide

C26H35ClN6O3 — CID 135335182

IUPAC3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(=O)NCCN(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H35ClN6O3/c1-30(2)10-7-28-26(34)6-8-31-11-13-32(14-12-31)19-5-9-33-18-22(29-25(33)15-19)20-16-21(27)24(36-4)17-23(20)35-3/h5,9,15-18H,6-8,10-14H2,1-4H3,(H,28,34)
InChIKeyBJYFQMSMLWHEGO-UHFFFAOYSA-N
MW515.06 g/mol
LogP2.86
Rot. Bonds10

About 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide

3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 135335182) has the molecular formula C26H35ClN6O3 and a molecular weight of 515.06 g/mol. Its IUPAC name is 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID135335182
Molecular FormulaC26H35ClN6O3
Molecular Weight515.06 g/mol
Exact Mass514.25
IUPAC Name3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(=O)NCCN(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C26H35ClN6O3/c1-30(2)10-7-28-26(34)6-8-31-11-13-32(14-12-31)19-5-9-33-18-22(29-25(33)15-19)20-16-21(27)24(36-4)17-23(20)35-3/h5,9,15-18H,6-8,10-14H2,1-4H3,(H,28,34)
InChIKeyBJYFQMSMLWHEGO-UHFFFAOYSA-N
XLogP2.86
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.06
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide (CID 135335182) is 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide is COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(=O)NCCN(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is BJYFQMSMLWHEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O3/c1-30(2)10-7-28-26(34)6-8-31-11-13-32(14-12-31)19-5-9-33-18-22(29-25(33)15-19)20-16-21(27)24(36-4)17-23(20)35-3/h5,9,15-18H,6-8,10-14H2,1-4H3,(H,28,34).
What are the key properties of 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide?
3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 515.06 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 135335182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).