1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C30H30FN5O6 — CID 159788000

About 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159788000) has the molecular formula C30H30FN5O6 and a molecular weight of 575.60 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 159788000
• Molecular Formula: C30H30FN5O6
• Molecular Weight: 575.60 g/mol
• Exact Mass: 575.22
• IUPAC Name: 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CNc1cc(F)cc2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C(C)(CO)CO)c(N3CCOCC3)c1-2
• InChI: InChI=1S/C30H30FN5O6/c1-30(14-37,15-38)36-13-22(29(40)41)27(39)20-7-16(11-34-28(20)36)21-12-33-24-10-18-19(8-17(31)9-23(18)32-2)25(24)26(21)35-3-5-42-6-4-35/h7-9,11-13,32,37-38H,3-6,10,14-15H2,1-2H3,(H,40,41)
• InChIKey: NIEXMYOGJNNLHI-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 150.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 159788000) is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is CNc1cc(F)cc2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C(C)(CO)CO)c(N3CCOCC3)c1-2.

What is the InChIKey of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is NIEXMYOGJNNLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O6/c1-30(14-37,15-38)36-13-22(29(40)41)27(39)20-7-16(11-34-28(20)36)21-12-33-24-10-18-19(8-17(31)9-23(18)32-2)25(24)26(21)35-3-5-42-6-4-35/h7-9,11-13,32,37-38H,3-6,10,14-15H2,1-2H3,(H,40,41).

What are the key properties of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 575.60 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-6-[6-fluoro-8-(methylamino)-4-morpholin-4-yl-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159788000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).