[2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

C33H38N6O4 — CID 11376694

About [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

[2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (PubChem CID 11376694) has the molecular formula C33H38N6O4 and a molecular weight of 582.71 g/mol. Its IUPAC name is [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
• PubChem CID: 11376694
• Molecular Formula: C33H38N6O4
• Molecular Weight: 582.71 g/mol
• Exact Mass: 582.30
• IUPAC Name: [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
• SMILES: Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(OC(C)(C)C)n2)cc2cn[nH]c12
• InChI: InChI=1S/C33H38N6O4/c1-21-16-22(17-24-19-34-37-30(21)24)18-28(27-10-7-11-29(35-27)43-33(2,3)4)42-32(41)38-14-12-25(13-15-38)39-20-23-8-5-6-9-26(23)36-31(39)40/h5-11,16-17,19,25,28H,12-15,18,20H2,1-4H3,(H,34,37)(H,36,40)
• InChIKey: FDQRFBWMGXUFCR-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 112.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.71
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?

The IUPAC name of [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (CID 11376694) is [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?

The canonical SMILES for [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(OC(C)(C)C)n2)cc2cn[nH]c12.

What is the InChIKey of [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?

The InChIKey is FDQRFBWMGXUFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O4/c1-21-16-22(17-24-19-34-37-30(21)24)18-28(27-10-7-11-29(35-27)43-33(2,3)4)42-32(41)38-14-12-25(13-15-38)39-20-23-8-5-6-9-26(23)36-31(39)40/h5-11,16-17,19,25,28H,12-15,18,20H2,1-4H3,(H,34,37)(H,36,40).

What are the key properties of [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?

[2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate has a molecular weight of 582.71 g/mol, XLogP of 6.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(7-methyl-1H-indazol-5-yl)-1-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11376694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).