N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C27H29F3N6O2 — CID 86692615

About N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 86692615) has the molecular formula C27H29F3N6O2 and a molecular weight of 526.56 g/mol. Its IUPAC name is N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 86692615
• Molecular Formula: C27H29F3N6O2
• Molecular Weight: 526.56 g/mol
• Exact Mass: 526.23
• IUPAC Name: N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCN(C(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C27H29F3N6O2/c1-16-12-20(14-32-23(16)18-8-10-35(11-9-18)25(38)26(3,4)5)34-24(37)21-15-33-36(17(21)2)22-7-6-19(13-31-22)27(28,29)30/h6-8,12-15H,9-11H2,1-5H3,(H,34,37)
• InChIKey: MWWATGFCHXTPJM-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 86692615) is N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCN(C(=O)C(C)(C)C)CC1.

What is the InChIKey of N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is MWWATGFCHXTPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O2/c1-16-12-20(14-32-23(16)18-8-10-35(11-9-18)25(38)26(3,4)5)34-24(37)21-15-33-36(17(21)2)22-7-6-19(13-31-22)27(28,29)30/h6-8,12-15H,9-11H2,1-5H3,(H,34,37).

What are the key properties of N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 526.56 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).