tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate

C29H42N6O2 — CID 146556157

About tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate

tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 146556157) has the molecular formula C29H42N6O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
• PubChem CID: 146556157
• Molecular Formula: C29H42N6O2
• Molecular Weight: 506.70 g/mol
• Exact Mass: 506.34
• IUPAC Name: tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
• SMILES: Cc1cccnc1[C@H]1CCC[C@@H](C2N=C3C=CC=C(N4CCN(C)CC4)N3C2C)N1C(=O)OC(C)(C)C
• InChI: InChI=1S/C29H42N6O2/c1-20-10-9-15-30-26(20)22-11-7-12-23(35(22)28(36)37-29(3,4)5)27-21(2)34-24(31-27)13-8-14-25(34)33-18-16-32(6)17-19-33/h8-10,13-15,21-23,27H,7,11-12,16-19H2,1-6H3/t21?,22-,23+,27?/m1/s1
• InChIKey: CULNUQLTNXYZRO-FPAXGFGJSA-N
• XLogP: 4.35
• TPSA: 64.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.70
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate (CID 146556157) is tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate is Cc1cccnc1[C@H]1CCC[C@@H](C2N=C3C=CC=C(N4CCN(C)CC4)N3C2C)N1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?

The InChIKey is CULNUQLTNXYZRO-FPAXGFGJSA-N. The full InChI is InChI=1S/C29H42N6O2/c1-20-10-9-15-30-26(20)22-11-7-12-23(35(22)28(36)37-29(3,4)5)27-21(2)34-24(31-27)13-8-14-25(34)33-18-16-32(6)17-19-33/h8-10,13-15,21-23,27H,7,11-12,16-19H2,1-6H3/t21?,22-,23+,27?/m1/s1.

What are the key properties of tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate?

tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 506.70 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,6R)-2-[3-methyl-5-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 146556157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).