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

C23H22FN5O2 — CID 155235222

IUPAC4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine
SMILESCOc1nccc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c12
InChIInChI=1S/C23H22FN5O2/c1-13-10-19(29(2)28-13)17-12-27-22(15-6-8-25-23(30-3)21(15)17)26-11-16-14-7-9-31-20(14)5-4-18(16)24/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,26,27)
InChIKeyDWINFAJYDPAFMF-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.03
Rot. Bonds5

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

4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine (PubChem CID 155235222) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine
PubChem CID155235222
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine
SMILESCOc1nccc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c12
InChIInChI=1S/C23H22FN5O2/c1-13-10-19(29(2)28-13)17-12-27-22(15-6-8-25-23(30-3)21(15)17)26-11-16-14-7-9-31-20(14)5-4-18(16)24/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,26,27)
InChIKeyDWINFAJYDPAFMF-UHFFFAOYSA-N
XLogP4.03
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine (CID 155235222) is 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine is COc1nccc2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c12.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine?
The InChIKey is DWINFAJYDPAFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13-10-19(29(2)28-13)17-12-27-22(15-6-8-25-23(30-3)21(15)17)26-11-16-14-7-9-31-20(14)5-4-18(16)24/h4-6,8,10,12H,7,9,11H2,1-3H3,(H,26,27).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine?
4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine has a molecular weight of 419.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-5-methoxy-2,6-naphthyridin-1-amine is sourced from PubChem (CID 155235222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).