5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one

C24H25FN6O2 — CID 155235207

IUPAC5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one
SMILESCN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12
InChIInChI=1S/C24H25FN6O2/c1-30(2)8-9-31-21(5-7-29-31)18-13-28-24(19-14-26-23(32)11-16(18)19)27-12-17-15-6-10-33-22(15)4-3-20(17)25/h3-5,7,11,13-14H,6,8-10,12H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyLZVLVHXXPPPBLF-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.03
Rot. Bonds7

About 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one

5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one (PubChem CID 155235207) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one
PubChem CID155235207
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one
SMILESCN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12
InChIInChI=1S/C24H25FN6O2/c1-30(2)8-9-31-21(5-7-29-31)18-13-28-24(19-14-26-23(32)11-16(18)19)27-12-17-15-6-10-33-22(15)4-3-20(17)25/h3-5,7,11,13-14H,6,8-10,12H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyLZVLVHXXPPPBLF-UHFFFAOYSA-N
XLogP3.03
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one?
The IUPAC name of 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one (CID 155235207) is 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one is CN(C)CCn1nccc1-c1cnc(NCc2c(F)ccc3c2CCO3)c2c[nH]c(=O)cc12.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one?
The InChIKey is LZVLVHXXPPPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-30(2)8-9-31-21(5-7-29-31)18-13-28-24(19-14-26-23(32)11-16(18)19)27-12-17-15-6-10-33-22(15)4-3-20(17)25/h3-5,7,11,13-14H,6,8-10,12H2,1-2H3,(H,26,32)(H,27,28).
What are the key properties of 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one?
5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one has a molecular weight of 448.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one is sourced from PubChem (CID 155235207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).