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

C23H22FN5O2 — CID 155235414

IUPAC4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine
SMILESCOc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C23H22FN5O2/c1-13-8-20(29(2)28-13)17-11-27-23(18-12-25-22(30-3)9-15(17)18)26-10-16-14-6-7-31-21(14)5-4-19(16)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27)
InChIKeyOATMILPKWOYVFR-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]-6-methoxy-2,7-naphthyridin-1-amine

4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine (PubChem CID 155235414) 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]-6-methoxy-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine
PubChem CID155235414
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]-6-methoxy-2,7-naphthyridin-1-amine
SMILESCOc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C23H22FN5O2/c1-13-8-20(29(2)28-13)17-11-27-23(18-12-25-22(30-3)9-15(17)18)26-10-16-14-6-7-31-21(14)5-4-19(16)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27)
InChIKeyOATMILPKWOYVFR-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]-6-methoxy-2,7-naphthyridin-1-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine (CID 155235414) is 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-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]-6-methoxy-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine is COc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine?
The InChIKey is OATMILPKWOYVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-13-8-20(29(2)28-13)17-11-27-23(18-12-25-22(30-3)9-15(17)18)26-10-16-14-6-7-31-21(14)5-4-19(16)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(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]-6-methoxy-2,7-naphthyridin-1-amine?
4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-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]-6-methoxy-2,7-naphthyridin-1-amine is sourced from PubChem (CID 155235414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).