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

C25H27FN6O2 — CID 155235118

IUPAC4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine
SMILESCOc1cc2c(-c3ccnn3CCN(C)C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C25H27FN6O2/c1-31(2)9-10-32-22(6-8-30-32)19-14-29-25(20-15-27-24(33-3)12-17(19)20)28-13-18-16-7-11-34-23(16)5-4-21(18)26/h4-6,8,12,14-15H,7,9-11,13H2,1-3H3,(H,28,29)
InChIKeyQLXCRAVTCNIDEC-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.75
Rot. Bonds8

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

4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine (PubChem CID 155235118) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethyl]pyrazol-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-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine
PubChem CID155235118
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine
SMILESCOc1cc2c(-c3ccnn3CCN(C)C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C25H27FN6O2/c1-31(2)9-10-32-22(6-8-30-32)19-14-29-25(20-15-27-24(33-3)12-17(19)20)28-13-18-16-7-11-34-23(16)5-4-21(18)26/h4-6,8,12,14-15H,7,9-11,13H2,1-3H3,(H,28,29)
InChIKeyQLXCRAVTCNIDEC-UHFFFAOYSA-N
XLogP3.75
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethyl]pyrazol-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-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine (CID 155235118) is 4-[2-[2-(dimethylamino)ethyl]pyrazol-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-[2-(dimethylamino)ethyl]pyrazol-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-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine is COc1cc2c(-c3ccnn3CCN(C)C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine?
The InChIKey is QLXCRAVTCNIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-31(2)9-10-32-22(6-8-30-32)19-14-29-25(20-15-27-24(33-3)12-17(19)20)28-13-18-16-7-11-34-23(16)5-4-21(18)26/h4-6,8,12,14-15H,7,9-11,13H2,1-3H3,(H,28,29).
What are the key properties of 4-[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methoxy-2,7-naphthyridin-1-amine?
4-[2-[2-(dimethylamino)ethyl]pyrazol-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 462.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethyl]pyrazol-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 155235118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).