3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H19F3N8O2 — CID 164899784

About 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 164899784) has the molecular formula C22H19F3N8O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 164899784
• Molecular Formula: C22H19F3N8O2
• Molecular Weight: 484.44 g/mol
• Exact Mass: 484.16
• IUPAC Name: 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: COc1nn(-c2cccc(C(F)(F)F)n2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1
• InChI: InChI=1S/C22H19F3N8O2/c1-12-9-10-18-29-30-19(33(12)18)14-5-3-7-16(26-14)28-20(34)13-11-32(31-21(13)35-2)17-8-4-6-15(27-17)22(23,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,28,34)/t12-/m0/s1
• InChIKey: KITQQKXEEZQJNY-LBPRGKRZSA-N
• XLogP: 3.71
• TPSA: 112.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.44
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 164899784) is 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(-c2cccc(C(F)(F)F)n2)cc1C(=O)Nc1cccc(-c2nnc3n2[C@@H](C)CC3)n1.

What is the InChIKey of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is KITQQKXEEZQJNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H19F3N8O2/c1-12-9-10-18-29-30-19(33(12)18)14-5-3-7-16(26-14)28-20(34)13-11-32(31-21(13)35-2)17-8-4-6-15(27-17)22(23,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,28,34)/t12-/m0/s1.

What are the key properties of 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164899784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).