[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate

C50H58N10O8 — CID 160675096

About [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate

[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate (PubChem CID 160675096) has the molecular formula C50H58N10O8 and a molecular weight of 927.08 g/mol. Its IUPAC name is [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate
• PubChem CID: 160675096
• Molecular Formula: C50H58N10O8
• Molecular Weight: 927.08 g/mol
• Exact Mass: 926.44
• IUPAC Name: [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate
• SMILES: CN1CCN(C(=O)Oc2ccc(C(=O)Nc3cc4cc(C(=O)C(C)(C)C)[nH]c4cn3)cc2)CC1.CN1CCN(C(=O)Oc2ccc(C(=O)Nc3cnc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2)CC1
• InChI: InChI=1S/2C25H29N5O4/c1-25(2,3)21(31)20-14-17-13-18(15-26-22(17)28-20)27-23(32)16-5-7-19(8-6-16)34-24(33)30-11-9-29(4)10-12-30;1-25(2,3)22(31)19-13-17-14-21(26-15-20(17)27-19)28-23(32)16-5-7-18(8-6-16)34-24(33)30-11-9-29(4)10-12-30/h5-8,13-15H,9-12H2,1-4H3,(H,26,28)(H,27,32);5-8,13-15,27H,9-12H2,1-4H3,(H,26,28,32)
• InChIKey: RNKUGHPUFBBPGW-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 215.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.08
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate?

The IUPAC name of [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate (CID 160675096) is [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate.

What is the SMILES notation for [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate?

The canonical SMILES for [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)Oc2ccc(C(=O)Nc3cc4cc(C(=O)C(C)(C)C)[nH]c4cn3)cc2)CC1.CN1CCN(C(=O)Oc2ccc(C(=O)Nc3cnc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2)CC1.

What is the InChIKey of [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate?

The InChIKey is RNKUGHPUFBBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29N5O4/c1-25(2,3)21(31)20-14-17-13-18(15-26-22(17)28-20)27-23(32)16-5-7-19(8-6-16)34-24(33)30-11-9-29(4)10-12-30;1-25(2,3)22(31)19-13-17-14-21(26-15-20(17)27-19)28-23(32)16-5-7-18(8-6-16)34-24(33)30-11-9-29(4)10-12-30/h5-8,13-15H,9-12H2,1-4H3,(H,26,28)(H,27,32);5-8,13-15,27H,9-12H2,1-4H3,(H,26,28,32).

What are the key properties of [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate?

[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate has a molecular weight of 927.08 g/mol, XLogP of 7.58, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 160675096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).