1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine

C23H29ClN4O2 — CID 135281902

IUPAC1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(CN(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H29ClN4O2/c1-26(2)14-16-5-8-27(9-6-16)17-7-10-28-15-20(25-23(28)11-17)18-12-19(24)22(30-4)13-21(18)29-3/h7,10-13,15-16H,5-6,8-9,14H2,1-4H3
InChIKeyFLHPGYWLVRMLHN-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.45
Rot. Bonds6

About 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 135281902) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID135281902
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(CN(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H29ClN4O2/c1-26(2)14-16-5-8-27(9-6-16)17-7-10-28-15-20(25-23(28)11-17)18-12-19(24)22(30-4)13-21(18)29-3/h7,10-13,15-16H,5-6,8-9,14H2,1-4H3
InChIKeyFLHPGYWLVRMLHN-UHFFFAOYSA-N
XLogP4.45
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 135281902) is 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine is COc1cc(OC)c(-c2cn3ccc(N4CCC(CN(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is FLHPGYWLVRMLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-26(2)14-16-5-8-27(9-6-16)17-7-10-28-15-20(25-23(28)11-17)18-12-19(24)22(30-4)13-21(18)29-3/h7,10-13,15-16H,5-6,8-9,14H2,1-4H3.
What are the key properties of 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 428.96 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 135281902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).