1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C24H23Cl2N7O2 — CID 56663314

IUPAC1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(Cl)ccn23)n1
InChIInChI=1S/C24H23Cl2N7O2/c1-15(34)31-7-9-32(10-8-31)17-3-4-19(21(12-17)35-2)29-24-28-13-18(26)23(30-24)20-14-27-22-11-16(25)5-6-33(20)22/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,30)
InChIKeyVNZXNBJMCXDCSK-UHFFFAOYSA-N
MW512.40 g/mol
LogP4.52
Rot. Bonds5

About 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56663314) has the molecular formula C24H23Cl2N7O2 and a molecular weight of 512.40 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56663314
Molecular FormulaC24H23Cl2N7O2
Molecular Weight512.40 g/mol
Exact Mass511.13
IUPAC Name1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(Cl)ccn23)n1
InChIInChI=1S/C24H23Cl2N7O2/c1-15(34)31-7-9-32(10-8-31)17-3-4-19(21(12-17)35-2)29-24-28-13-18(26)23(30-24)20-14-27-22-11-16(25)5-6-33(20)22/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,30)
InChIKeyVNZXNBJMCXDCSK-UHFFFAOYSA-N
XLogP4.52
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56663314) is 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(Cl)ccn23)n1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is VNZXNBJMCXDCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O2/c1-15(34)31-7-9-32(10-8-31)17-3-4-19(21(12-17)35-2)29-24-28-13-18(26)23(30-24)20-14-27-22-11-16(25)5-6-33(20)22/h3-6,11-14H,7-10H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 512.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56663314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).