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

C25H26ClN7O3 — CID 56677003

IUPAC1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[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(OC)cccn23)n1
InChIInChI=1S/C25H26ClN7O3/c1-16(34)31-9-11-32(12-10-31)17-6-7-19(22(13-17)36-3)29-25-28-14-18(26)23(30-25)20-15-27-24-21(35-2)5-4-8-33(20)24/h4-8,13-15H,9-12H2,1-3H3,(H,28,29,30)
InChIKeyMAMCKHRKAMEQIM-UHFFFAOYSA-N
MW507.98 g/mol
LogP3.87
Rot. Bonds6

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

1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56677003) has the molecular formula C25H26ClN7O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[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-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56677003
Molecular FormulaC25H26ClN7O3
Molecular Weight507.98 g/mol
Exact Mass507.18
IUPAC Name1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[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(OC)cccn23)n1
InChIInChI=1S/C25H26ClN7O3/c1-16(34)31-9-11-32(12-10-31)17-6-7-19(22(13-17)36-3)29-25-28-14-18(26)23(30-25)20-15-27-24-21(35-2)5-4-8-33(20)24/h4-8,13-15H,9-12H2,1-3H3,(H,28,29,30)
InChIKeyMAMCKHRKAMEQIM-UHFFFAOYSA-N
XLogP3.87
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[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-(8-methoxyimidazo[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-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56677003) is 1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[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-(8-methoxyimidazo[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-(8-methoxyimidazo[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(OC)cccn23)n1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is MAMCKHRKAMEQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O3/c1-16(34)31-9-11-32(12-10-31)17-6-7-19(22(13-17)36-3)29-25-28-14-18(26)23(30-25)20-15-27-24-21(35-2)5-4-8-33(20)24/h4-8,13-15H,9-12H2,1-3H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 507.98 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[5-chloro-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56677003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).