N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C26H24F3N7 — CID 142460238

About N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 142460238) has the molecular formula C26H24F3N7 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

• Compound Name: N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
• PubChem CID: 142460238
• Molecular Formula: C26H24F3N7
• Molecular Weight: 491.52 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
• SMILES: CC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3ccc(C(F)(F)F)nc3)nc12
• InChI: InChI=1S/C26H24F3N7/c1-14(2)19-13-31-36-24(19)34-23(15-7-10-22(30-12-15)26(27,28)29)35-25(36)32-16-8-9-21-18(11-16)17-5-3-4-6-20(17)33-21/h3-7,10,12-14,16,33H,8-9,11H2,1-2H3,(H,32,34,35)
• InChIKey: DUDWUSXZTHNRQM-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.52
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?

The IUPAC name of N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 142460238) is N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

What is the SMILES notation for N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?

The canonical SMILES for N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3ccc(C(F)(F)F)nc3)nc12.

What is the InChIKey of N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?

The InChIKey is DUDWUSXZTHNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7/c1-14(2)19-13-31-36-24(19)34-23(15-7-10-22(30-12-15)26(27,28)29)35-25(36)32-16-8-9-21-18(11-16)17-5-3-4-6-20(17)33-21/h3-7,10,12-14,16,33H,8-9,11H2,1-2H3,(H,32,34,35).

What are the key properties of N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?

N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 491.52 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 142460238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).