1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C24H22ClF2N7O2 — CID 56683656

IUPAC1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[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(-c2cnc3c(F)cc(F)cn23)n1
InChIInChI=1S/C24H22ClF2N7O2/c1-14(35)32-5-7-33(8-6-32)16-3-4-19(21(10-16)36-2)30-24-29-11-17(25)22(31-24)20-12-28-23-18(27)9-15(26)13-34(20)23/h3-4,9-13H,5-8H2,1-2H3,(H,29,30,31)
InChIKeyAOUATNRHHSRWML-UHFFFAOYSA-N
MW513.94 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56683656) has the molecular formula C24H22ClF2N7O2 and a molecular weight of 513.94 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56683656
Molecular FormulaC24H22ClF2N7O2
Molecular Weight513.94 g/mol
Exact Mass513.15
IUPAC Name1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[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(-c2cnc3c(F)cc(F)cn23)n1
InChIInChI=1S/C24H22ClF2N7O2/c1-14(35)32-5-7-33(8-6-32)16-3-4-19(21(10-16)36-2)30-24-29-11-17(25)22(31-24)20-12-28-23-18(27)9-15(26)13-34(20)23/h3-4,9-13H,5-8H2,1-2H3,(H,29,30,31)
InChIKeyAOUATNRHHSRWML-UHFFFAOYSA-N
XLogP4.14
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56683656) is 1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[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(-c2cnc3c(F)cc(F)cn23)n1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is AOUATNRHHSRWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N7O2/c1-14(35)32-5-7-33(8-6-32)16-3-4-19(21(10-16)36-2)30-24-29-11-17(25)22(31-24)20-12-28-23-18(27)9-15(26)13-34(20)23/h3-4,9-13H,5-8H2,1-2H3,(H,29,30,31).
What are the key properties of 1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 513.94 g/mol, XLogP of 4.14, 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-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56683656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).