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

C25H25ClN6O3 — CID 45380893

IUPAC1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone
SMILESCOc1cc(OC2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C25H25ClN6O3/c1-16(33)31-11-8-17(9-12-31)35-18-6-7-20(22(13-18)34-2)29-25-28-14-19(26)24(30-25)21-15-27-23-5-3-4-10-32(21)23/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,28,29,30)
InChIKeyRNGFVIWQFGXUID-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.59
Rot. Bonds6

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

1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone (PubChem CID 45380893) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone
PubChem CID45380893
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone
SMILESCOc1cc(OC2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C25H25ClN6O3/c1-16(33)31-11-8-17(9-12-31)35-18-6-7-20(22(13-18)34-2)29-25-28-14-19(26)24(30-25)21-15-27-23-5-3-4-10-32(21)23/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,28,29,30)
InChIKeyRNGFVIWQFGXUID-UHFFFAOYSA-N
XLogP4.59
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methoxyphenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone (CID 45380893) is 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone is COc1cc(OC2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone?
The InChIKey is RNGFVIWQFGXUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-16(33)31-11-8-17(9-12-31)35-18-6-7-20(22(13-18)34-2)29-25-28-14-19(26)24(30-25)21-15-27-23-5-3-4-10-32(21)23/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone?
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone has a molecular weight of 492.97 g/mol, XLogP of 4.59, 6 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-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 45380893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).