1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one

C23H27N7O — CID 169316740

About 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one

1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 169316740) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one
• PubChem CID: 169316740
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one
• SMILES: CC(C)CC(=O)N1CCC[C@@H](c2nc3c([nH]2)c(N)nc2cc(-c4ccn[nH]4)ccc23)C1
• InChI: InChI=1S/C23H27N7O/c1-13(2)10-19(31)30-9-3-4-15(12-30)23-27-20-16-6-5-14(17-7-8-25-29-17)11-18(16)26-22(24)21(20)28-23/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H2,24,26)(H,25,29)(H,27,28)/t15-/m1/s1
• InChIKey: UUXBIEYSVZJBSB-OAHLLOKOSA-N
• XLogP: 3.84
• TPSA: 116.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one?

The IUPAC name of 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one (CID 169316740) is 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one.

What is the SMILES notation for 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one?

The canonical SMILES for 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCC[C@@H](c2nc3c([nH]2)c(N)nc2cc(-c4ccn[nH]4)ccc23)C1.

What is the InChIKey of 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one?

The InChIKey is UUXBIEYSVZJBSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N7O/c1-13(2)10-19(31)30-9-3-4-15(12-30)23-27-20-16-6-5-14(17-7-8-25-29-17)11-18(16)26-22(24)21(20)28-23/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H2,24,26)(H,25,29)(H,27,28)/t15-/m1/s1.

What are the key properties of 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one?

1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 417.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 169316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).