1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C24H25ClN8O2 — CID 56680335

IUPAC1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(N)cccn23)n1
InChIInChI=1S/C24H25ClN8O2/c1-15(34)31-8-10-32(11-9-31)16-5-6-19(21(12-16)35-2)29-24-28-13-17(25)22(30-24)20-14-27-23-18(26)4-3-7-33(20)23/h3-7,12-14H,8-11,26H2,1-2H3,(H,28,29,30)
InChIKeyHLFZUDVNWAHZBU-UHFFFAOYSA-N
MW492.97 g/mol
LogP3.45
Rot. Bonds5

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

1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56680335) has the molecular formula C24H25ClN8O2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56680335
Molecular FormulaC24H25ClN8O2
Molecular Weight492.97 g/mol
Exact Mass492.18
IUPAC Name1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(N)cccn23)n1
InChIInChI=1S/C24H25ClN8O2/c1-15(34)31-8-10-32(11-9-31)16-5-6-19(21(12-16)35-2)29-24-28-13-17(25)22(30-24)20-14-27-23-18(26)4-3-7-33(20)23/h3-7,12-14H,8-11,26H2,1-2H3,(H,28,29,30)
InChIKeyHLFZUDVNWAHZBU-UHFFFAOYSA-N
XLogP3.45
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56680335) is 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(N)cccn23)n1.
What is the InChIKey of 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is HLFZUDVNWAHZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O2/c1-15(34)31-8-10-32(11-9-31)16-5-6-19(21(12-16)35-2)29-24-28-13-17(25)22(30-24)20-14-27-23-18(26)4-3-7-33(20)23/h3-7,12-14H,8-11,26H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 492.97 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-(8-aminoimidazo[1,2-a]pyridin-3-yl)-5-chloropyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56680335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).