propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate

C20H23N7O2 — CID 142563255

About propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate

propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 142563255) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
• PubChem CID: 142563255
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
• SMILES: CC(C)OC(=O)N1CCN(c2ccnc3[nH]c(-c4cnn(C)c4)c(C#N)c23)CC1
• InChI: InChI=1S/C20H23N7O2/c1-13(2)29-20(28)27-8-6-26(7-9-27)16-4-5-22-19-17(16)15(10-21)18(24-19)14-11-23-25(3)12-14/h4-5,11-13H,6-9H2,1-3H3,(H,22,24)
• InChIKey: RHECUVPTBPAYMM-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 103.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?

The IUPAC name of propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate (CID 142563255) is propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate.

What is the SMILES notation for propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?

The canonical SMILES for propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate is CC(C)OC(=O)N1CCN(c2ccnc3[nH]c(-c4cnn(C)c4)c(C#N)c23)CC1.

What is the InChIKey of propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?

The InChIKey is RHECUVPTBPAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13(2)29-20(28)27-8-6-26(7-9-27)16-4-5-22-19-17(16)15(10-21)18(24-19)14-11-23-25(3)12-14/h4-5,11-13H,6-9H2,1-3H3,(H,22,24).

What are the key properties of propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate?

propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 393.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-[3-cyano-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 142563255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).