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

C30H26N8O2 — CID 162426649

IUPAC9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(-c3ccc(-c4cnn(C)c4C)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C30H26N8O2/c1-16-10-25(40-35-16)28-26(19-8-6-18(7-9-19)22-13-33-38(5)17(22)2)27-21-11-23(20-12-32-36(3)15-20)34-29(21)31-14-24(27)37(4)30(28)39/h6-15H,1-5H3,(H,31,34)
InChIKeyRJPPATXDZJDSTP-UHFFFAOYSA-N
MW530.59 g/mol
LogP5.15
Rot. Bonds4

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

9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one (PubChem CID 162426649) has the molecular formula C30H26N8O2 and a molecular weight of 530.59 g/mol. Its IUPAC name is 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one.

Molecular Properties

Compound Name9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
PubChem CID162426649
Molecular FormulaC30H26N8O2
Molecular Weight530.59 g/mol
Exact Mass530.22
IUPAC Name9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(-c3ccc(-c4cnn(C)c4C)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C30H26N8O2/c1-16-10-25(40-35-16)28-26(19-8-6-18(7-9-19)22-13-33-38(5)17(22)2)27-21-11-23(20-12-32-36(3)15-20)34-29(21)31-14-24(27)37(4)30(28)39/h6-15H,1-5H3,(H,31,34)
InChIKeyRJPPATXDZJDSTP-UHFFFAOYSA-N
XLogP5.15
TPSA112.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The IUPAC name of 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one (CID 162426649) is 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one.
What is the SMILES notation for 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The canonical SMILES for 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one is Cc1cc(-c2c(-c3ccc(-c4cnn(C)c4C)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1.
What is the InChIKey of 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The InChIKey is RJPPATXDZJDSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O2/c1-16-10-25(40-35-16)28-26(19-8-6-18(7-9-19)22-13-33-38(5)17(22)2)27-21-11-23(20-12-32-36(3)15-20)34-29(21)31-14-24(27)37(4)30(28)39/h6-15H,1-5H3,(H,31,34).
What are the key properties of 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one has a molecular weight of 530.59 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,5-dimethylpyrazol-4-yl)phenyl]-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one is sourced from PubChem (CID 162426649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).