8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine

C22H20FN5O — CID 155235215

IUPAC8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cccnc23)n(C)n1
InChIInChI=1S/C22H20FN5O/c1-13-10-19(28(2)27-13)17-12-26-22(15-4-3-8-24-21(15)17)25-11-16-14-7-9-29-20(14)6-5-18(16)23/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,25,26)
InChIKeyVAIROHXUNARCFZ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.02
Rot. Bonds4

About 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine

8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine (PubChem CID 155235215) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine
PubChem CID155235215
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine
SMILESCc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cccnc23)n(C)n1
InChIInChI=1S/C22H20FN5O/c1-13-10-19(28(2)27-13)17-12-26-22(15-4-3-8-24-21(15)17)25-11-16-14-7-9-29-20(14)6-5-18(16)23/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,25,26)
InChIKeyVAIROHXUNARCFZ-UHFFFAOYSA-N
XLogP4.02
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine?
The IUPAC name of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine (CID 155235215) is 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine.
What is the SMILES notation for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine?
The canonical SMILES for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine is Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cccnc23)n(C)n1.
What is the InChIKey of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine?
The InChIKey is VAIROHXUNARCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-10-19(28(2)27-13)17-12-26-22(15-4-3-8-24-21(15)17)25-11-16-14-7-9-29-20(14)6-5-18(16)23/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,25,26).
What are the key properties of 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine?
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine has a molecular weight of 389.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 155235215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).