tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate

C23H27N7O2 — CID 165369182

About tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 165369182) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate
• PubChem CID: 165369182
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12
• InChI: InChI=1S/C23H27N7O2/c1-23(2,3)32-22(31)30-10-4-5-14(30)12-18-27-19-15-7-6-13(16-8-9-25-29-16)11-17(15)26-21(24)20(19)28-18/h6-9,11,14H,4-5,10,12H2,1-3H3,(H2,24,26)(H,25,29)(H,27,28)/t14-/m1/s1
• InChIKey: XVRNTIHDZSUILP-CQSZACIVSA-N
• XLogP: 4.03
• TPSA: 125.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate (CID 165369182) is tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.

What is the InChIKey of tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate?

The InChIKey is XVRNTIHDZSUILP-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-23(2,3)32-22(31)30-10-4-5-14(30)12-18-27-19-15-7-6-13(16-8-9-25-29-16)11-17(15)26-21(24)20(19)28-18/h6-9,11,14H,4-5,10,12H2,1-3H3,(H2,24,26)(H,25,29)(H,27,28)/t14-/m1/s1.

What are the key properties of tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate?

tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 433.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 165369182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).