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

C22H20FN5O — CID 155235214

IUPAC4-(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)c3cnccc23)n(C)n1
InChIInChI=1S/C22H20FN5O/c1-13-9-20(28(2)27-13)17-12-26-22(18-10-24-7-5-14(17)18)25-11-16-15-6-8-29-21(15)4-3-19(16)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26)
InChIKeySRZKNBCHWCIBEQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.02
Rot. Bonds4

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

4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine (PubChem CID 155235214) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 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 Name4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine
PubChem CID155235214
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name4-(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)c3cnccc23)n(C)n1
InChIInChI=1S/C22H20FN5O/c1-13-9-20(28(2)27-13)17-12-26-22(18-10-24-7-5-14(17)18)25-11-16-15-6-8-29-21(15)4-3-19(16)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26)
InChIKeySRZKNBCHWCIBEQ-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 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 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine (CID 155235214) is 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 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 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)c3cnccc23)n(C)n1.
What is the InChIKey of 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 SRZKNBCHWCIBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-9-20(28(2)27-13)17-12-26-22(18-10-24-7-5-14(17)18)25-11-16-15-6-8-29-21(15)4-3-19(16)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,25,26).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine?
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 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 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 155235214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).