3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine

C25H33ClN4O2 — CID 161118286

IUPAC3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCOc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H33ClN4O2/c1-18-6-10-29(11-7-18)19-8-12-30-17-22(27-25(30)14-19)20-15-21(26)24(31-4)16-23(20)32-13-5-9-28(2)3/h8,12,14-18H,5-7,9-11,13H2,1-4H3
InChIKeyUKPONQWVOWQRSG-UHFFFAOYSA-N
MW457.02 g/mol
LogP5.23
Rot. Bonds8

About 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine

3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 161118286) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID161118286
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCOc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H33ClN4O2/c1-18-6-10-29(11-7-18)19-8-12-30-17-22(27-25(30)14-19)20-15-21(26)24(31-4)16-23(20)32-13-5-9-28(2)3/h8,12,14-18H,5-7,9-11,13H2,1-4H3
InChIKeyUKPONQWVOWQRSG-UHFFFAOYSA-N
XLogP5.23
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.02
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine (CID 161118286) is 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine is COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is UKPONQWVOWQRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-18-6-10-29(11-7-18)19-8-12-30-17-22(27-25(30)14-19)20-15-21(26)24(31-4)16-23(20)32-13-5-9-28(2)3/h8,12,14-18H,5-7,9-11,13H2,1-4H3.
What are the key properties of 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 457.02 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methoxy-2-[7-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 161118286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).