1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone

C26H28ClN7O2 — CID 59291103

IUPAC1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c(OC)c2)CC1
InChIInChI=1S/C26H28ClN7O2/c1-28-16-24(35)33-11-8-17(9-12-33)18-6-7-20(22(13-18)36-2)31-26-30-14-19(27)25(32-26)21-15-29-23-5-3-4-10-34(21)23/h3-7,10,13-15,17,28H,8-9,11-12,16H2,1-2H3,(H,30,31,32)
InChIKeyOYVBZEFVTRVWQE-UHFFFAOYSA-N
MW506.01 g/mol
LogP4.12
Rot. Bonds7

About 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone

1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 59291103) has the molecular formula C26H28ClN7O2 and a molecular weight of 506.01 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID59291103
Molecular FormulaC26H28ClN7O2
Molecular Weight506.01 g/mol
Exact Mass505.20
IUPAC Name1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c(OC)c2)CC1
InChIInChI=1S/C26H28ClN7O2/c1-28-16-24(35)33-11-8-17(9-12-33)18-6-7-20(22(13-18)36-2)31-26-30-14-19(27)25(32-26)21-15-29-23-5-3-4-10-34(21)23/h3-7,10,13-15,17,28H,8-9,11-12,16H2,1-2H3,(H,30,31,32)
InChIKeyOYVBZEFVTRVWQE-UHFFFAOYSA-N
XLogP4.12
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.01
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone (CID 59291103) is 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(c2ccc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c(OC)c2)CC1.
What is the InChIKey of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is OYVBZEFVTRVWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O2/c1-28-16-24(35)33-11-8-17(9-12-33)18-6-7-20(22(13-18)36-2)31-26-30-14-19(27)25(32-26)21-15-29-23-5-3-4-10-34(21)23/h3-7,10,13-15,17,28H,8-9,11-12,16H2,1-2H3,(H,30,31,32).
What are the key properties of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 506.01 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 59291103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).