N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C26H25FN6 — CID 140944743

IUPACN-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cccc(F)c3)nc12
InChIInChI=1S/C26H25FN6/c1-15(2)21-14-28-33-25(21)31-24(16-6-5-7-17(27)12-16)32-26(33)29-18-10-11-23-20(13-18)19-8-3-4-9-22(19)30-23/h3-9,12,14-15,18,30H,10-11,13H2,1-2H3,(H,29,31,32)
InChIKeyOTUHKCBTAGZXGO-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.50
Rot. Bonds4

About N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 140944743) has the molecular formula C26H25FN6 and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID140944743
Molecular FormulaC26H25FN6
Molecular Weight440.53 g/mol
Exact Mass440.21
IUPAC NameN-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cccc(F)c3)nc12
InChIInChI=1S/C26H25FN6/c1-15(2)21-14-28-33-25(21)31-24(16-6-5-7-17(27)12-16)32-26(33)29-18-10-11-23-20(13-18)19-8-3-4-9-22(19)30-23/h3-9,12,14-15,18,30H,10-11,13H2,1-2H3,(H,29,31,32)
InChIKeyOTUHKCBTAGZXGO-UHFFFAOYSA-N
XLogP5.50
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 140944743) is N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[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-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[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(-c3cccc(F)c3)nc12.
What is the InChIKey of N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is OTUHKCBTAGZXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6/c1-15(2)21-14-28-33-25(21)31-24(16-6-5-7-17(27)12-16)32-26(33)29-18-10-11-23-20(13-18)19-8-3-4-9-22(19)30-23/h3-9,12,14-15,18,30H,10-11,13H2,1-2H3,(H,29,31,32).
What are the key properties of N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 440.53 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 140944743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).