4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine

C23H23Cl2N7O2 — CID 135281293

IUPAC4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(Cl)nc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H23Cl2N7O2/c1-33-18-11-19(34-2)16(24)10-15(18)17-13-32-4-3-14(9-21(32)27-17)30-5-7-31(8-6-30)22-12-20(25)28-23(26)29-22/h3-4,9-13H,5-8H2,1-2H3,(H2,26,28,29)
InChIKeyMBHYJYIUQZUHFX-UHFFFAOYSA-N
MW500.39 g/mol
LogP4.02
Rot. Bonds5

About 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 135281293) has the molecular formula C23H23Cl2N7O2 and a molecular weight of 500.39 g/mol. Its IUPAC name is 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID135281293
Molecular FormulaC23H23Cl2N7O2
Molecular Weight500.39 g/mol
Exact Mass499.13
IUPAC Name4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(Cl)nc(N)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C23H23Cl2N7O2/c1-33-18-11-19(34-2)16(24)10-15(18)17-13-32-4-3-14(9-21(32)27-17)30-5-7-31(8-6-30)22-12-20(25)28-23(26)29-22/h3-4,9-13H,5-8H2,1-2H3,(H2,26,28,29)
InChIKeyMBHYJYIUQZUHFX-UHFFFAOYSA-N
XLogP4.02
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine (CID 135281293) is 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cc(Cl)nc(N)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is MBHYJYIUQZUHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N7O2/c1-33-18-11-19(34-2)16(24)10-15(18)17-13-32-4-3-14(9-21(32)27-17)30-5-7-31(8-6-30)22-12-20(25)28-23(26)29-22/h3-4,9-13H,5-8H2,1-2H3,(H2,26,28,29).
What are the key properties of 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 500.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 135281293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).