[(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C30H29F2N5O2 — CID 138563404

About [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138563404) has the molecular formula C30H29F2N5O2 and a molecular weight of 529.59 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• PubChem CID: 138563404
• Molecular Formula: C30H29F2N5O2
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.23
• IUPAC Name: [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• SMILES: COc1cccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3cc(F)c(F)cc32)c1
• InChI: InChI=1S/C30H29F2N5O2/c1-18-29(34-28-14-20(8-10-36(18)28)30(38)35-9-4-6-22(33)17-35)27-13-21-12-24(31)25(32)15-26(21)37(27)16-19-5-3-7-23(11-19)39-2/h3,5,7-8,10-15,22H,4,6,9,16-17,33H2,1-2H3/t22-/m1/s1
• InChIKey: RJCBATGNKMOYOK-JOCHJYFZSA-N
• XLogP: 5.16
• TPSA: 77.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138563404) is [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is COc1cccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3cc(F)c(F)cc32)c1.

What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The InChIKey is RJCBATGNKMOYOK-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H29F2N5O2/c1-18-29(34-28-14-20(8-10-36(18)28)30(38)35-9-4-6-22(33)17-35)27-13-21-12-24(31)25(32)15-26(21)37(27)16-19-5-3-7-23(11-19)39-2/h3,5,7-8,10-15,22H,4,6,9,16-17,33H2,1-2H3/t22-/m1/s1.

What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

[(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 529.59 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-aminopiperidin-1-yl]-[2-[5,6-difluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138563404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).