N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C29H32F2N8 — CID 154612565

About N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 154612565) has the molecular formula C29H32F2N8 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
• PubChem CID: 154612565
• Molecular Formula: C29H32F2N8
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.27
• IUPAC Name: N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
• SMILES: C=C(CCN(C)C)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C6CC6)c5c4)n3)ccc2C1
• InChI: InChI=1S/C29H32F2N8/c1-17(9-11-37(3)4)38-12-10-24-19(16-38)5-8-26(34-24)35-29-32-15-23(31)27(36-29)20-13-22(30)28-25(14-20)39(18(2)33-28)21-6-7-21/h5,8,13-15,21H,1,6-7,9-12,16H2,2-4H3,(H,32,34,35,36)
• InChIKey: DWVMFMWELQFMNJ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The IUPAC name of N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 154612565) is N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

What is the SMILES notation for N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The canonical SMILES for N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is C=C(CCN(C)C)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C6CC6)c5c4)n3)ccc2C1.

What is the InChIKey of N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

The InChIKey is DWVMFMWELQFMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N8/c1-17(9-11-37(3)4)38-12-10-24-19(16-38)5-8-26(34-24)35-29-32-15-23(31)27(36-29)20-13-22(30)28-25(14-20)39(18(2)33-28)21-6-7-21/h5,8,13-15,21H,1,6-7,9-12,16H2,2-4H3,(H,32,34,35,36).

What are the key properties of N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?

N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 530.63 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[4-(dimethylamino)but-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 154612565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).