methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate

C26H27ClFN7O2 — CID 146662046

IUPACmethyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCNc2cnc3ccc(-c4[nH]cnc4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C26H27ClFN7O2/c1-37-24(36)12-18-14-35(9-7-30-18)8-6-29-17-11-23-21(31-13-17)4-5-22(34-23)26-25(32-15-33-26)19-10-16(27)2-3-20(19)28/h2-5,10-11,13,15,18,29-30H,6-9,12,14H2,1H3,(H,32,33)
InChIKeyOZCKUCKCHZECQT-UHFFFAOYSA-N
MW524.00 g/mol
LogP3.73
Rot. Bonds8

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

methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate (PubChem CID 146662046) has the molecular formula C26H27ClFN7O2 and a molecular weight of 524.00 g/mol. Its IUPAC name is methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate
PubChem CID146662046
Molecular FormulaC26H27ClFN7O2
Molecular Weight524.00 g/mol
Exact Mass523.19
IUPAC Namemethyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCNc2cnc3ccc(-c4[nH]cnc4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C26H27ClFN7O2/c1-37-24(36)12-18-14-35(9-7-30-18)8-6-29-17-11-23-21(31-13-17)4-5-22(34-23)26-25(32-15-33-26)19-10-16(27)2-3-20(19)28/h2-5,10-11,13,15,18,29-30H,6-9,12,14H2,1H3,(H,32,33)
InChIKeyOZCKUCKCHZECQT-UHFFFAOYSA-N
XLogP3.73
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate (CID 146662046) is methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate is COC(=O)CC1CN(CCNc2cnc3ccc(-c4[nH]cnc4-c4cc(Cl)ccc4F)nc3c2)CCN1.
What is the InChIKey of methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate?
The InChIKey is OZCKUCKCHZECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN7O2/c1-37-24(36)12-18-14-35(9-7-30-18)8-6-29-17-11-23-21(31-13-17)4-5-22(34-23)26-25(32-15-33-26)19-10-16(27)2-3-20(19)28/h2-5,10-11,13,15,18,29-30H,6-9,12,14H2,1H3,(H,32,33).
What are the key properties of methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate?
methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate has a molecular weight of 524.00 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate is sourced from PubChem (CID 146662046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).