9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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

C30H26N8O3 — CID 162426599

IUPAC9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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)c4CO)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C30H26N8O3/c1-16-9-25(41-35-16)28-26(18-7-5-17(6-8-18)21-12-33-38(4)24(21)15-39)27-20-10-22(19-11-32-36(2)14-19)34-29(20)31-13-23(27)37(3)30(28)40/h5-14,39H,15H2,1-4H3,(H,31,34)
InChIKeyQWHWLZKHZGJPTA-UHFFFAOYSA-N
MW546.59 g/mol
LogP4.34
Rot. Bonds5

About 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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 162426599) has the molecular formula C30H26N8O3 and a molecular weight of 546.59 g/mol. Its IUPAC name is 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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 CID162426599
Molecular FormulaC30H26N8O3
Molecular Weight546.59 g/mol
Exact Mass546.21
IUPAC Name9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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)c4CO)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C30H26N8O3/c1-16-9-25(41-35-16)28-26(18-7-5-17(6-8-18)21-12-33-38(4)24(21)15-39)27-20-10-22(19-11-32-36(2)14-19)34-29(20)31-13-23(27)37(3)30(28)40/h5-14,39H,15H2,1-4H3,(H,31,34)
InChIKeyQWHWLZKHZGJPTA-UHFFFAOYSA-N
XLogP4.34
TPSA132.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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 162426599) is 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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)c4CO)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1.
What is the InChIKey of 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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 QWHWLZKHZGJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O3/c1-16-9-25(41-35-16)28-26(18-7-5-17(6-8-18)21-12-33-38(4)24(21)15-39)27-20-10-22(19-11-32-36(2)14-19)34-29(20)31-13-23(27)37(3)30(28)40/h5-14,39H,15H2,1-4H3,(H,31,34).
What are the key properties of 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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-[5-(hydroxymethyl)-1-methylpyrazol-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 546.59 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-(hydroxymethyl)-1-methylpyrazol-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 162426599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).