[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol

C23H20FN7O — CID 140944789

IUPAC[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
SMILESOCc1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H20FN7O/c24-15-7-13(9-25-11-15)21-29-22-14(12-32)10-26-31(22)23(30-21)27-16-5-6-20-18(8-16)17-3-1-2-4-19(17)28-20/h1-4,7,9-11,16,28,32H,5-6,8,12H2,(H,27,29,30)
InChIKeyHFBYSOBHZVPLSR-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.27
Rot. Bonds4

About [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol

[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol (PubChem CID 140944789) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol.

Molecular Properties

Compound Name[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
PubChem CID140944789
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
SMILESOCc1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C23H20FN7O/c24-15-7-13(9-25-11-15)21-29-22-14(12-32)10-26-31(22)23(30-21)27-16-5-6-20-18(8-16)17-3-1-2-4-19(17)28-20/h1-4,7,9-11,16,28,32H,5-6,8,12H2,(H,27,29,30)
InChIKeyHFBYSOBHZVPLSR-UHFFFAOYSA-N
XLogP3.27
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
The IUPAC name of [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol (CID 140944789) is [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol.
What is the SMILES notation for [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
The canonical SMILES for [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol is OCc1cnn2c(NC3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
The InChIKey is HFBYSOBHZVPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O/c24-15-7-13(9-25-11-15)21-29-22-14(12-32)10-26-31(22)23(30-21)27-16-5-6-20-18(8-16)17-3-1-2-4-19(17)28-20/h1-4,7,9-11,16,28,32H,5-6,8,12H2,(H,27,29,30).
What are the key properties of [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol?
[2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol has a molecular weight of 429.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-3-pyridinyl)-4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol is sourced from PubChem (CID 140944789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).