3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

C29H29FN6O — CID 71287419

About 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide (PubChem CID 71287419) has the molecular formula C29H29FN6O and a molecular weight of 496.59 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
• PubChem CID: 71287419
• Molecular Formula: C29H29FN6O
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.24
• IUPAC Name: 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
• SMILES: O=C(NC1CCCc2ccccc21)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1
• InChI: InChI=1S/C29H29FN6O/c30-23-13-11-21(12-14-23)26-18-27(36(34-26)28-31-15-5-16-32-28)22-8-4-17-35(19-22)29(37)33-25-10-3-7-20-6-1-2-9-24(20)25/h1-2,5-6,9,11-16,18,22,25H,3-4,7-8,10,17,19H2,(H,33,37)
• InChIKey: UZOXLTDPOUKQGS-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?

The IUPAC name of 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide (CID 71287419) is 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?

The canonical SMILES for 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide is O=C(NC1CCCc2ccccc21)N1CCCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)C1.

What is the InChIKey of 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?

The InChIKey is UZOXLTDPOUKQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O/c30-23-13-11-21(12-14-23)26-18-27(36(34-26)28-31-15-5-16-32-28)22-8-4-17-35(19-22)29(37)33-25-10-3-7-20-6-1-2-9-24(20)25/h1-2,5-6,9,11-16,18,22,25H,3-4,7-8,10,17,19H2,(H,33,37).

What are the key properties of 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide?

3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71287419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).