4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C24H27FN6O — CID 153300650

About 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 153300650) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
• PubChem CID: 153300650
• Molecular Formula: C24H27FN6O
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.22
• IUPAC Name: 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
• SMILES: Cc1cc(N2CCC[C@@H](N)C2)c2cc(C(=O)NC(C)C)c3nc4ccc(F)cc4n3c2n1
• InChI: InChI=1S/C24H27FN6O/c1-13(2)27-24(32)18-11-17-20(30-8-4-5-16(26)12-30)9-14(3)28-22(17)31-21-10-15(25)6-7-19(21)29-23(18)31/h6-7,9-11,13,16H,4-5,8,12,26H2,1-3H3,(H,27,32)/t16-/m1/s1
• InChIKey: VIJKDAWGIBOJLV-MRXNPFEDSA-N
• XLogP: 3.55
• TPSA: 88.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?

The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 153300650) is 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?

The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is Cc1cc(N2CCC[C@@H](N)C2)c2cc(C(=O)NC(C)C)c3nc4ccc(F)cc4n3c2n1.

What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?

The InChIKey is VIJKDAWGIBOJLV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-13(2)27-24(32)18-11-17-20(30-8-4-5-16(26)12-30)9-14(3)28-22(17)31-21-10-15(25)6-7-19(21)29-23(18)31/h6-7,9-11,13,16H,4-5,8,12,26H2,1-3H3,(H,27,32)/t16-/m1/s1.

What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?

4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-aminopiperidin-1-yl]-10-fluoro-2-methyl-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 153300650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).