2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide

C21H18FN5O2 — CID 138523608

IUPAC2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(Oc3ccnc4c(F)cncc34)cc2)cn1
InChIInChI=1S/C21H18FN5O2/c1-26(2)20(28)13-27-12-15(9-25-27)14-3-5-16(6-4-14)29-19-7-8-24-21-17(19)10-23-11-18(21)22/h3-12H,13H2,1-2H3
InChIKeyPNURMDJXHPDCNM-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 138523608) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID138523608
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc(Oc3ccnc4c(F)cncc34)cc2)cn1
InChIInChI=1S/C21H18FN5O2/c1-26(2)20(28)13-27-12-15(9-25-27)14-3-5-16(6-4-14)29-19-7-8-24-21-17(19)10-23-11-18(21)22/h3-12H,13H2,1-2H3
InChIKeyPNURMDJXHPDCNM-UHFFFAOYSA-N
XLogP3.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 138523608) is 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2ccc(Oc3ccnc4c(F)cncc34)cc2)cn1.
What is the InChIKey of 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is PNURMDJXHPDCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-26(2)20(28)13-27-12-15(9-25-27)14-3-5-16(6-4-14)29-19-7-8-24-21-17(19)10-23-11-18(21)22/h3-12H,13H2,1-2H3.
What are the key properties of 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 391.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(8-fluoro-1,6-naphthyridin-4-yl)oxy]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 138523608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).