[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol

C30H32FN5O2 — CID 138578941

About [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol

[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 138578941) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 138578941
• Molecular Formula: C30H32FN5O2
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.25
• IUPAC Name: [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: COc1cc(Cn2c(-c3nc4cc(C(O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccccc32)ccc1F
• InChI: InChI=1S/C30H32FN5O2/c1-19-29(33-28-16-22(11-13-35(19)28)30(37)34-12-5-7-23(32)18-34)26-15-21-6-3-4-8-25(21)36(26)17-20-9-10-24(31)27(14-20)38-2/h3-4,6,8-11,13-16,23,30,37H,5,7,12,17-18,32H2,1-2H3/t23-,30?/m1/s1
• InChIKey: ZRJONFBOENUWDN-ZCQJSQKNSA-N
• XLogP: 4.87
• TPSA: 80.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol (CID 138578941) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol is COc1cc(Cn2c(-c3nc4cc(C(O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccccc32)ccc1F.

What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is ZRJONFBOENUWDN-ZCQJSQKNSA-N. The full InChI is InChI=1S/C30H32FN5O2/c1-19-29(33-28-16-22(11-13-35(19)28)30(37)34-12-5-7-23(32)18-34)26-15-21-6-3-4-8-25(21)36(26)17-20-9-10-24(31)27(14-20)38-2/h3-4,6,8-11,13-16,23,30,37H,5,7,12,17-18,32H2,1-2H3/t23-,30?/m1/s1.

What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol?

[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 513.62 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 138578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).