8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid

C28H32N4O4 — CID 166158402

About 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid

8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 166158402) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid
• PubChem CID: 166158402
• Molecular Formula: C28H32N4O4
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.24
• IUPAC Name: 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid
• SMILES: COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](OCC2CC2)C[C@@H]1c1ccc(C(=O)O)n2ccnc12
• InChI: InChI=1S/C28H32N4O4/c1-17-13-25(35-2)22(20-7-9-29-26(17)20)15-31-11-8-19(36-16-18-3-4-18)14-24(31)21-5-6-23(28(33)34)32-12-10-30-27(21)32/h5-7,9-10,12-13,18-19,24,29H,3-4,8,11,14-16H2,1-2H3,(H,33,34)/t19-,24-/m1/s1
• InChIKey: IQDDSLWLUWQLCT-NTKDMRAZSA-N
• XLogP: 4.96
• TPSA: 92.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?

The IUPAC name of 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 166158402) is 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid.

What is the SMILES notation for 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?

The canonical SMILES for 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid is COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](OCC2CC2)C[C@@H]1c1ccc(C(=O)O)n2ccnc12.

What is the InChIKey of 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?

The InChIKey is IQDDSLWLUWQLCT-NTKDMRAZSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-17-13-25(35-2)22(20-7-9-29-26(17)20)15-31-11-8-19(36-16-18-3-4-18)14-24(31)21-5-6-23(28(33)34)32-12-10-30-27(21)32/h5-7,9-10,12-13,18-19,24,29H,3-4,8,11,14-16H2,1-2H3,(H,33,34)/t19-,24-/m1/s1.

What are the key properties of 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid?

8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 488.59 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2R,4R)-4-(cyclopropylmethoxy)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 166158402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).