4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide

C30H32F3N5O2 — CID 151382607

About 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide

4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide (PubChem CID 151382607) has the molecular formula C30H32F3N5O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
• PubChem CID: 151382607
• Molecular Formula: C30H32F3N5O2
• Molecular Weight: 551.61 g/mol
• Exact Mass: 551.25
• IUPAC Name: 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
• SMILES: O=C(NC1CCCc2ccccc21)c1cc(C2CCN(C(=O)Cc3c(C(F)(F)F)n[nH]c3C3CC3)CC2)ccn1
• InChI: InChI=1S/C30H32F3N5O2/c31-30(32,33)28-23(27(36-37-28)20-8-9-20)17-26(39)38-14-11-18(12-15-38)21-10-13-34-25(16-21)29(40)35-24-7-3-5-19-4-1-2-6-22(19)24/h1-2,4,6,10,13,16,18,20,24H,3,5,7-9,11-12,14-15,17H2,(H,35,40)(H,36,37)
• InChIKey: OSSVPSHUWABSPI-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.61
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?

The IUPAC name of 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide (CID 151382607) is 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide.

What is the SMILES notation for 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?

The canonical SMILES for 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide is O=C(NC1CCCc2ccccc21)c1cc(C2CCN(C(=O)Cc3c(C(F)(F)F)n[nH]c3C3CC3)CC2)ccn1.

What is the InChIKey of 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?

The InChIKey is OSSVPSHUWABSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O2/c31-30(32,33)28-23(27(36-37-28)20-8-9-20)17-26(39)38-14-11-18(12-15-38)21-10-13-34-25(16-21)29(40)35-24-7-3-5-19-4-1-2-6-22(19)24/h1-2,4,6,10,13,16,18,20,24H,3,5,7-9,11-12,14-15,17H2,(H,35,40)(H,36,37).

What are the key properties of 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide?

4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide has a molecular weight of 551.61 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 151382607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).