[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C24H24ClN5O — CID 78836013

About [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 78836013) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
• PubChem CID: 78836013
• Molecular Formula: C24H24ClN5O
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.17
• IUPAC Name: [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)n2)n1
• InChI: InChI=1S/C24H24ClN5O/c1-15-13-16(2)30(28-15)22-8-7-20(25)23(27-22)24(31)29-11-9-17(10-12-29)19-14-26-21-6-4-3-5-18(19)21/h3-8,13-14,17,26H,9-12H2,1-2H3
• InChIKey: JCLUCEVGHPESDR-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.94
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?

The IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 78836013) is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)n2)n1.

What is the InChIKey of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?

The InChIKey is JCLUCEVGHPESDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-15-13-16(2)30(28-15)22-8-7-20(25)23(27-22)24(31)29-11-9-17(10-12-29)19-14-26-21-6-4-3-5-18(19)21/h3-8,13-14,17,26H,9-12H2,1-2H3.

What are the key properties of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 433.94 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 78836013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).