[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone

C24H23F2N5O — CID 46953377

About [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone

[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 46953377) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 46953377
• Molecular Formula: C24H23F2N5O
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccc2[nH]c(C3CCCN(C(=O)c4ccn(C(F)F)n4)C3)c(-c3ccncc3)c2c1
• InChI: InChI=1S/C24H23F2N5O/c1-15-4-5-19-18(13-15)21(16-6-9-27-10-7-16)22(28-19)17-3-2-11-30(14-17)23(32)20-8-12-31(29-20)24(25)26/h4-10,12-13,17,24,28H,2-3,11,14H2,1H3
• InChIKey: DWNVBAYDDPICHN-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 46953377) is [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C3CCCN(C(=O)c4ccn(C(F)F)n4)C3)c(-c3ccncc3)c2c1.

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

The InChIKey is DWNVBAYDDPICHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-15-4-5-19-18(13-15)21(16-6-9-27-10-7-16)22(28-19)17-3-2-11-30(14-17)23(32)20-8-12-31(29-20)24(25)26/h4-10,12-13,17,24,28H,2-3,11,14H2,1H3.

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

[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 435.48 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46953377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).