9-(4-methoxycyclohexyl)-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

C26H28N6O3 — CID 162426598

IUPAC9-(4-methoxycyclohexyl)-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
SMILESCOC1CCC(c2c(-c3cc(C)no3)c(=O)n(C)c3cnc4[nH]c(-c5cnn(C)c5)cc4c23)CC1
InChIInChI=1S/C26H28N6O3/c1-14-9-21(35-30-14)24-22(15-5-7-17(34-4)8-6-15)23-18-10-19(16-11-28-31(2)13-16)29-25(18)27-12-20(23)32(3)26(24)33/h9-13,15,17H,5-8H2,1-4H3,(H,27,29)
InChIKeyRNRFYOPVVYYTEA-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.45
Rot. Bonds4

About 9-(4-methoxycyclohexyl)-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-methoxycyclohexyl)-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 162426598) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 9-(4-methoxycyclohexyl)-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-methoxycyclohexyl)-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 CID162426598
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name9-(4-methoxycyclohexyl)-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
SMILESCOC1CCC(c2c(-c3cc(C)no3)c(=O)n(C)c3cnc4[nH]c(-c5cnn(C)c5)cc4c23)CC1
InChIInChI=1S/C26H28N6O3/c1-14-9-21(35-30-14)24-22(15-5-7-17(34-4)8-6-15)23-18-10-19(16-11-28-31(2)13-16)29-25(18)27-12-20(23)32(3)26(24)33/h9-13,15,17H,5-8H2,1-4H3,(H,27,29)
InChIKeyRNRFYOPVVYYTEA-UHFFFAOYSA-N
XLogP4.45
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-(4-methoxycyclohexyl)-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

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 9-(4-methoxycyclohexyl)-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-methoxycyclohexyl)-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 162426598) is 9-(4-methoxycyclohexyl)-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-methoxycyclohexyl)-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-methoxycyclohexyl)-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 COC1CCC(c2c(-c3cc(C)no3)c(=O)n(C)c3cnc4[nH]c(-c5cnn(C)c5)cc4c23)CC1.
What is the InChIKey of 9-(4-methoxycyclohexyl)-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 RNRFYOPVVYYTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-14-9-21(35-30-14)24-22(15-5-7-17(34-4)8-6-15)23-18-10-19(16-11-28-31(2)13-16)29-25(18)27-12-20(23)32(3)26(24)33/h9-13,15,17H,5-8H2,1-4H3,(H,27,29).
What are the key properties of 9-(4-methoxycyclohexyl)-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-methoxycyclohexyl)-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 472.55 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxycyclohexyl)-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 162426598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).