4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

C25H28ClN7O2 — CID 135281763

IUPAC4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N(C)C)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H28ClN7O2/c1-30(2)25-27-7-5-23(29-25)32-11-9-31(10-12-32)17-6-8-33-16-20(28-24(33)13-17)18-14-19(26)22(35-4)15-21(18)34-3/h5-8,13-16H,9-12H2,1-4H3
InChIKeyGVYCAYIYHUCDNG-UHFFFAOYSA-N
MW494.00 g/mol
LogP3.85
Rot. Bonds6

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

4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 135281763) has the molecular formula C25H28ClN7O2 and a molecular weight of 494.00 g/mol. Its IUPAC name is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID135281763
Molecular FormulaC25H28ClN7O2
Molecular Weight494.00 g/mol
Exact Mass493.20
IUPAC Name4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N(C)C)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H28ClN7O2/c1-30(2)25-27-7-5-23(29-25)32-11-9-31(10-12-32)17-6-8-33-16-20(28-24(33)13-17)18-14-19(26)22(35-4)15-21(18)34-3/h5-8,13-16H,9-12H2,1-4H3
InChIKeyGVYCAYIYHUCDNG-UHFFFAOYSA-N
XLogP3.85
TPSA71.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 135281763) is 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N(C)C)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is GVYCAYIYHUCDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O2/c1-30(2)25-27-7-5-23(29-25)32-11-9-31(10-12-32)17-6-8-33-16-20(28-24(33)13-17)18-14-19(26)22(35-4)15-21(18)34-3/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 494.00 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 135281763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).