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

C25H26ClN7O2 — CID 56670168

IUPAC1-[4-[4-[[5-chloro-4-(8-methylimidazo[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(C)cccn23)n1
InChIInChI=1S/C25H26ClN7O2/c1-16-5-4-8-33-21(15-27-24(16)33)23-19(26)14-28-25(30-23)29-20-7-6-18(13-22(20)35-3)32-11-9-31(10-12-32)17(2)34/h4-8,13-15H,9-12H2,1-3H3,(H,28,29,30)
InChIKeyGHQJVVGAJQKDIW-UHFFFAOYSA-N
MW491.98 g/mol
LogP4.17
Rot. Bonds5

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

1-[4-[4-[[5-chloro-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56670168) has the molecular formula C25H26ClN7O2 and a molecular weight of 491.98 g/mol. Its IUPAC name is 1-[4-[4-[[5-chloro-4-(8-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56670168
Molecular FormulaC25H26ClN7O2
Molecular Weight491.98 g/mol
Exact Mass491.18
IUPAC Name1-[4-[4-[[5-chloro-4-(8-methylimidazo[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(C)cccn23)n1
InChIInChI=1S/C25H26ClN7O2/c1-16-5-4-8-33-21(15-27-24(16)33)23-19(26)14-28-25(30-23)29-20-7-6-18(13-22(20)35-3)32-11-9-31(10-12-32)17(2)34/h4-8,13-15H,9-12H2,1-3H3,(H,28,29,30)
InChIKeyGHQJVVGAJQKDIW-UHFFFAOYSA-N
XLogP4.17
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[[5-chloro-4-(8-methylimidazo[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-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56670168) is 1-[4-[4-[[5-chloro-4-(8-methylimidazo[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-methylimidazo[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-methylimidazo[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(C)cccn23)n1.
What is the InChIKey of 1-[4-[4-[[5-chloro-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is GHQJVVGAJQKDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O2/c1-16-5-4-8-33-21(15-27-24(16)33)23-19(26)14-28-25(30-23)29-20-7-6-18(13-22(20)35-3)32-11-9-31(10-12-32)17(2)34/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-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[5-chloro-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 491.98 g/mol, XLogP of 4.17, 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-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56670168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).