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

C23H22FN5O — CID 155240342

IUPAC4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine
SMILESCc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C23H22FN5O/c1-13-8-16-18(21-9-14(2)28-29(21)3)11-27-23(19(16)12-25-13)26-10-17-15-6-7-30-22(15)5-4-20(17)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27)
InChIKeyBXRKNZOABLFJOJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.33
Rot. Bonds4

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

4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine (PubChem CID 155240342) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-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-methyl-2,7-naphthyridin-1-amine
PubChem CID155240342
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine
SMILESCc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C23H22FN5O/c1-13-8-16-18(21-9-14(2)28-29(21)3)11-27-23(19(16)12-25-13)26-10-17-15-6-7-30-22(15)5-4-20(17)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27)
InChIKeyBXRKNZOABLFJOJ-UHFFFAOYSA-N
XLogP4.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methyl-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-methyl-2,7-naphthyridin-1-amine (CID 155240342) is 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-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-methyl-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-methyl-2,7-naphthyridin-1-amine is Cc1cc2c(-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-methyl-2,7-naphthyridin-1-amine?
The InChIKey is BXRKNZOABLFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-13-8-16-18(21-9-14(2)28-29(21)3)11-27-23(19(16)12-25-13)26-10-17-15-6-7-30-22(15)5-4-20(17)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-methyl-2,7-naphthyridin-1-amine?
4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine has a molecular weight of 403.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-methyl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 155240342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).