6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one

C25H20N6O2 — CID 162426651

IUPAC6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(-c3ccccc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C25H20N6O2/c1-14-9-20(33-29-14)23-21(15-7-5-4-6-8-15)22-17-10-18(16-11-27-30(2)13-16)28-24(17)26-12-19(22)31(3)25(23)32/h4-13H,1-3H3,(H,26,28)
InChIKeyLLRFWAFZEWPGLT-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.45
Rot. Bonds3

About 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one

6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one (PubChem CID 162426651) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one.

Molecular Properties

Compound Name6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
PubChem CID162426651
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(-c3ccccc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C25H20N6O2/c1-14-9-20(33-29-14)23-21(15-7-5-4-6-8-15)22-17-10-18(16-11-27-30(2)13-16)28-24(17)26-12-19(22)31(3)25(23)32/h4-13H,1-3H3,(H,26,28)
InChIKeyLLRFWAFZEWPGLT-UHFFFAOYSA-N
XLogP4.45
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one 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 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The IUPAC name of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one (CID 162426651) is 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one.
What is the SMILES notation for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The canonical SMILES for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one is Cc1cc(-c2c(-c3ccccc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1.
What is the InChIKey of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The InChIKey is LLRFWAFZEWPGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-14-9-20(33-29-14)23-21(15-7-5-4-6-8-15)22-17-10-18(16-11-27-30(2)13-16)28-24(17)26-12-19(22)31(3)25(23)32/h4-13H,1-3H3,(H,26,28).
What are the key properties of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one has a molecular weight of 436.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-phenyl-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one is sourced from PubChem (CID 162426651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).