cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone

C22H24N4O — CID 138569970

About cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone (PubChem CID 138569970) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 138569970
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(-c2cc3c(N4CCN(C(=O)C5CC5)CC4)ccnc3[nH]2)c1
• InChI: InChI=1S/C22H24N4O/c1-15-3-2-4-17(13-15)19-14-18-20(7-8-23-21(18)24-19)25-9-11-26(12-10-25)22(27)16-5-6-16/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,23,24)
• InChIKey: QAQDBPOFDFLDDX-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone (CID 138569970) is cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone is Cc1cccc(-c2cc3c(N4CCN(C(=O)C5CC5)CC4)ccnc3[nH]2)c1.

What is the InChIKey of cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?

The InChIKey is QAQDBPOFDFLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-3-2-4-17(13-15)19-14-18-20(7-8-23-21(18)24-19)25-9-11-26(12-10-25)22(27)16-5-6-16/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,23,24).

What are the key properties of cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?

cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 138569970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).