1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

C22H21F3N8O — CID 90383109

About 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide

1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (PubChem CID 90383109) has the molecular formula C22H21F3N8O and a molecular weight of 470.46 g/mol. Its IUPAC name is 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
• PubChem CID: 90383109
• Molecular Formula: C22H21F3N8O
• Molecular Weight: 470.46 g/mol
• Exact Mass: 470.18
• IUPAC Name: 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide
• SMILES: C[C@H]1CCCN1c1nc2cc(NC(=O)c3c(-c4cccc(C(F)(F)F)n4)cnn3C)ccn2n1
• InChI: InChI=1S/C22H21F3N8O/c1-13-5-4-9-32(13)21-29-18-11-14(8-10-33(18)30-21)27-20(34)19-15(12-26-31(19)2)16-6-3-7-17(28-16)22(23,24)25/h3,6-8,10-13H,4-5,9H2,1-2H3,(H,27,34)/t13-/m0/s1
• InChIKey: MYTQWGOTVIKDGP-ZDUSSCGKSA-N
• XLogP: 3.78
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.46
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?

The IUPAC name of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide (CID 90383109) is 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is C[C@H]1CCCN1c1nc2cc(NC(=O)c3c(-c4cccc(C(F)(F)F)n4)cnn3C)ccn2n1.

What is the InChIKey of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?

The InChIKey is MYTQWGOTVIKDGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21F3N8O/c1-13-5-4-9-32(13)21-29-18-11-14(8-10-33(18)30-21)27-20(34)19-15(12-26-31(19)2)16-6-3-7-17(28-16)22(23,24)25/h3,6-8,10-13H,4-5,9H2,1-2H3,(H,27,34)/t13-/m0/s1.

What are the key properties of 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide?

1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90383109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).