9-[4-(methoxymethyl)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

C27H24N6O3 — CID 162426633

IUPAC9-[4-(methoxymethyl)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
SMILESCOCc1ccc(-c2c(-c3cc(C)no3)c(=O)n(C)c3cnc4[nH]c(-c5cnn(C)c5)cc4c23)cc1
InChIInChI=1S/C27H24N6O3/c1-15-9-22(36-31-15)25-23(17-7-5-16(6-8-17)14-35-4)24-19-10-20(18-11-29-32(2)13-18)30-26(19)28-12-21(24)33(3)27(25)34/h5-13H,14H2,1-4H3,(H,28,30)
InChIKeyAELJOCJCHSLLFQ-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.59
Rot. Bonds5

About 9-[4-(methoxymethyl)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-(methoxymethyl)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 162426633) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 9-[4-(methoxymethyl)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-(methoxymethyl)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 CID162426633
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name9-[4-(methoxymethyl)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
SMILESCOCc1ccc(-c2c(-c3cc(C)no3)c(=O)n(C)c3cnc4[nH]c(-c5cnn(C)c5)cc4c23)cc1
InChIInChI=1S/C27H24N6O3/c1-15-9-22(36-31-15)25-23(17-7-5-16(6-8-17)14-35-4)24-19-10-20(18-11-29-32(2)13-18)30-26(19)28-12-21(24)33(3)27(25)34/h5-13H,14H2,1-4H3,(H,28,30)
InChIKeyAELJOCJCHSLLFQ-UHFFFAOYSA-N
XLogP4.59
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(methoxymethyl)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-(methoxymethyl)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 162426633) is 9-[4-(methoxymethyl)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-(methoxymethyl)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-(methoxymethyl)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 COCc1ccc(-c2c(-c3cc(C)no3)c(=O)n(C)c3cnc4[nH]c(-c5cnn(C)c5)cc4c23)cc1.
What is the InChIKey of 9-[4-(methoxymethyl)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 AELJOCJCHSLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-15-9-22(36-31-15)25-23(17-7-5-16(6-8-17)14-35-4)24-19-10-20(18-11-29-32(2)13-18)30-26(19)28-12-21(24)33(3)27(25)34/h5-13H,14H2,1-4H3,(H,28,30).
What are the key properties of 9-[4-(methoxymethyl)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-(methoxymethyl)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 480.53 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(methoxymethyl)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 162426633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).