(4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C22H30N6O — CID 154843994

About (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 154843994) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 154843994
• Molecular Formula: C22H30N6O
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.25
• IUPAC Name: (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: Cc1cccc2c1CC(C(=O)N1CCCC(c3cc(N4CCNCC4)n[nH]3)C1)N2
• InChI: InChI=1S/C22H30N6O/c1-15-4-2-6-18-17(15)12-20(24-18)22(29)28-9-3-5-16(14-28)19-13-21(26-25-19)27-10-7-23-8-11-27/h2,4,6,13,16,20,23-24H,3,5,7-12,14H2,1H3,(H,25,26)
• InChIKey: GZAZAUSRJPCPFE-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 76.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 154843994) is (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cccc2c1CC(C(=O)N1CCCC(c3cc(N4CCNCC4)n[nH]3)C1)N2.

What is the InChIKey of (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is GZAZAUSRJPCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-15-4-2-6-18-17(15)12-20(24-18)22(29)28-9-3-5-16(14-28)19-13-21(26-25-19)27-10-7-23-8-11-27/h2,4,6,13,16,20,23-24H,3,5,7-12,14H2,1H3,(H,25,26).

What are the key properties of (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

(4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154843994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).