6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol

C25H24FN7O — CID 164761783

IUPAC6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5cccc(O)c5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H24FN7O/c1-13(2)18-12-28-33-24(18)31-23(14-8-15(26)11-27-10-14)32-25(33)29-16-6-7-19-17(9-16)22-20(30-19)4-3-5-21(22)34/h3-5,8,10-13,16,30,34H,6-7,9H2,1-2H3,(H,29,31,32)
InChIKeyCTJRYUZNICPADU-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.61
Rot. Bonds4

About 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol

6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol (PubChem CID 164761783) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol.

Molecular Properties

Compound Name6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol
PubChem CID164761783
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol
SMILESCC(C)c1cnn2c(NC3CCc4[nH]c5cccc(O)c5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H24FN7O/c1-13(2)18-12-28-33-24(18)31-23(14-8-15(26)11-27-10-14)32-25(33)29-16-6-7-19-17(9-16)22-20(30-19)4-3-5-21(22)34/h3-5,8,10-13,16,30,34H,6-7,9H2,1-2H3,(H,29,31,32)
InChIKeyCTJRYUZNICPADU-UHFFFAOYSA-N
XLogP4.61
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol?
The IUPAC name of 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol (CID 164761783) is 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol.
What is the SMILES notation for 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol?
The canonical SMILES for 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol is CC(C)c1cnn2c(NC3CCc4[nH]c5cccc(O)c5c4C3)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol?
The InChIKey is CTJRYUZNICPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-13(2)18-12-28-33-24(18)31-23(14-8-15(26)11-27-10-14)32-25(33)29-16-6-7-19-17(9-16)22-20(30-19)4-3-5-21(22)34/h3-5,8,10-13,16,30,34H,6-7,9H2,1-2H3,(H,29,31,32).
What are the key properties of 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol?
6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol has a molecular weight of 457.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,7,8,9-tetrahydro-5H-carbazol-4-ol is sourced from PubChem (CID 164761783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).