6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine

C26H29FN6O2 — CID 155240332

IUPAC6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(OCCN(C)C)cc23)n(C)n1
InChIInChI=1S/C26H29FN6O2/c1-16-11-23(33(4)31-16)20-14-30-26(21-15-28-25(12-18(20)21)35-10-8-32(2)3)29-13-19-17-7-9-34-24(17)6-5-22(19)27/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,29,30)
InChIKeyCVMHGVSLEFSBJR-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.97
Rot. Bonds8

About 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine

6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine (PubChem CID 155240332) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
PubChem CID155240332
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(OCCN(C)C)cc23)n(C)n1
InChIInChI=1S/C26H29FN6O2/c1-16-11-23(33(4)31-16)20-14-30-26(21-15-28-25(12-18(20)21)35-10-8-32(2)3)29-13-19-17-7-9-34-24(17)6-5-22(19)27/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,29,30)
InChIKeyCVMHGVSLEFSBJR-UHFFFAOYSA-N
XLogP3.97
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine (CID 155240332) is 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(OCCN(C)C)cc23)n(C)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
The InChIKey is CVMHGVSLEFSBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-16-11-23(33(4)31-16)20-14-30-26(21-15-28-25(12-18(20)21)35-10-8-32(2)3)29-13-19-17-7-9-34-24(17)6-5-22(19)27/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,29,30).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine has a molecular weight of 476.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 155240332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).