2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid

C23H15F2N5O2 — CID 159851590

IUPAC2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2cnc3ccc(C4=CCN=C4c4ccc(F)c(F)c4)nc3c2)cn1
InChIInChI=1S/C23H15F2N5O2/c24-17-2-1-13(7-18(17)25)23-16(5-6-26-23)19-3-4-20-21(29-19)8-14(9-27-20)15-10-28-30(11-15)12-22(31)32/h1-5,7-11H,6,12H2,(H,31,32)
InChIKeyNPZVFEITWYYUPX-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid

2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 159851590) has the molecular formula C23H15F2N5O2 and a molecular weight of 431.40 g/mol. Its IUPAC name is 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID159851590
Molecular FormulaC23H15F2N5O2
Molecular Weight431.40 g/mol
Exact Mass431.12
IUPAC Name2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2cnc3ccc(C4=CCN=C4c4ccc(F)c(F)c4)nc3c2)cn1
InChIInChI=1S/C23H15F2N5O2/c24-17-2-1-13(7-18(17)25)23-16(5-6-26-23)19-3-4-20-21(29-19)8-14(9-27-20)15-10-28-30(11-15)12-22(31)32/h1-5,7-11H,6,12H2,(H,31,32)
InChIKeyNPZVFEITWYYUPX-UHFFFAOYSA-N
XLogP3.74
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid (CID 159851590) is 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(-c2cnc3ccc(C4=CCN=C4c4ccc(F)c(F)c4)nc3c2)cn1.
What is the InChIKey of 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is NPZVFEITWYYUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O2/c24-17-2-1-13(7-18(17)25)23-16(5-6-26-23)19-3-4-20-21(29-19)8-14(9-27-20)15-10-28-30(11-15)12-22(31)32/h1-5,7-11H,6,12H2,(H,31,32).
What are the key properties of 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid?
2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 431.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-(3,4-difluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 159851590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).