methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate

C24H23ClN6O2 — CID 146661740

IUPACmethyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)nc3c2)CCN1
InChIInChI=1S/C24H23ClN6O2/c1-33-22(32)10-17-13-31(8-7-26-17)18-11-21-19(27-12-18)5-6-20(30-21)24-23(28-14-29-24)15-3-2-4-16(25)9-15/h2-6,9,11-12,14,17,26H,7-8,10,13H2,1H3,(H,28,29)
InChIKeyYUIVEUMTKUTDAD-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.68
Rot. Bonds5

About methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate

methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate (PubChem CID 146661740) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate
PubChem CID146661740
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Namemethyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)nc3c2)CCN1
InChIInChI=1S/C24H23ClN6O2/c1-33-22(32)10-17-13-31(8-7-26-17)18-11-21-19(27-12-18)5-6-20(30-21)24-23(28-14-29-24)15-3-2-4-16(25)9-15/h2-6,9,11-12,14,17,26H,7-8,10,13H2,1H3,(H,28,29)
InChIKeyYUIVEUMTKUTDAD-UHFFFAOYSA-N
XLogP3.68
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate (CID 146661740) is methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate is COC(=O)CC1CN(c2cnc3ccc(-c4[nH]cnc4-c4cccc(Cl)c4)nc3c2)CCN1.
What is the InChIKey of methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate?
The InChIKey is YUIVEUMTKUTDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-33-22(32)10-17-13-31(8-7-26-17)18-11-21-19(27-12-18)5-6-20(30-21)24-23(28-14-29-24)15-3-2-4-16(25)9-15/h2-6,9,11-12,14,17,26H,7-8,10,13H2,1H3,(H,28,29).
What are the key properties of methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate?
methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate has a molecular weight of 462.94 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[6-[4-(3-chlorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]piperazin-2-yl]acetate is sourced from PubChem (CID 146661740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).