(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

C27H32N4O2 — CID 50849004

About (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone

(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50849004) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
• PubChem CID: 50849004
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(C)c1
• InChI: InChI=1S/C27H32N4O2/c1-19-6-7-23(20(2)16-19)26(32)30-13-8-21(9-14-30)22-10-15-31-25(17-22)24(18-28-31)27(33)29-11-4-3-5-12-29/h6-7,10,15-18,21H,3-5,8-9,11-14H2,1-2H3
• InChIKey: ISXXCFOIXWGAJB-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 57.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?

The IUPAC name of (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone (CID 50849004) is (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3ccn4ncc(C(=O)N5CCCCC5)c4c3)CC2)c(C)c1.

What is the InChIKey of (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?

The InChIKey is ISXXCFOIXWGAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-6-7-23(20(2)16-19)26(32)30-13-8-21(9-14-30)22-10-15-31-25(17-22)24(18-28-31)27(33)29-11-4-3-5-12-29/h6-7,10,15-18,21H,3-5,8-9,11-14H2,1-2H3.

What are the key properties of (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone?

(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 444.58 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50849004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).