[(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

C37H49N7O4 — CID 59258362

About [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

[(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate (PubChem CID 59258362) has the molecular formula C37H49N7O4 and a molecular weight of 655.84 g/mol. Its IUPAC name is [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
• PubChem CID: 59258362
• Molecular Formula: C37H49N7O4
• Molecular Weight: 655.84 g/mol
• Exact Mass: 655.38
• IUPAC Name: [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
• SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(C)CC3)CC2)cn2ccnc12
• InChI: InChI=1S/C37H49N7O4/c1-26-23-27(25-43-22-14-38-34(26)43)24-33(35(45)41-17-9-29(10-18-41)28-7-15-40(2)16-8-28)48-37(47)42-19-12-31(13-20-42)44-21-11-30-5-3-4-6-32(30)39-36(44)46/h3-6,14,22-23,25,28-29,31,33H,7-13,15-21,24H2,1-2H3,(H,39,46)/t33-/m1/s1
• InChIKey: ODWZLHZWZHVIAK-MGBGTMOVSA-N
• XLogP: 4.83
• TPSA: 102.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.84
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The IUPAC name of [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate (CID 59258362) is [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The canonical SMILES for [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate is Cc1cc(C[C@@H](OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C3CCN(C)CC3)CC2)cn2ccnc12.

What is the InChIKey of [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The InChIKey is ODWZLHZWZHVIAK-MGBGTMOVSA-N. The full InChI is InChI=1S/C37H49N7O4/c1-26-23-27(25-43-22-14-38-34(26)43)24-33(35(45)41-17-9-29(10-18-41)28-7-15-40(2)16-8-28)48-37(47)42-19-12-31(13-20-42)44-21-11-30-5-3-4-6-32(30)39-36(44)46/h3-6,14,22-23,25,28-29,31,33H,7-13,15-21,24H2,1-2H3,(H,39,46)/t33-/m1/s1.

What are the key properties of [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

[(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate has a molecular weight of 655.84 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-(8-methylimidazo[1,2-a]pyridin-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59258362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).