(6S)-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-2-ol

C25H24FN7O — CID 156784389

IUPAC(6S)-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-2-ol
SMILESCC(C)c1cnn2c(N[C@H]3CCc4[nH]c5cc(O)ccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H24FN7O/c1-13(2)20-12-28-33-24(20)31-23(14-7-15(26)11-27-10-14)32-25(33)29-16-3-6-21-19(8-16)18-5-4-17(34)9-22(18)30-21/h4-5,7,9-13,16,30,34H,3,6,8H2,1-2H3,(H,29,31,32)/t16-/m0/s1
InChIKeyASFSXXWXPLKCCX-INIZCTEOSA-N
MW457.51 g/mol
LogP4.61
Rot. Bonds4

About (6S)-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-2-ol

(6S)-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-2-ol (PubChem CID 156784389) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is (6S)-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-2-ol.

Molecular Properties

Compound Name(6S)-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-2-ol
PubChem CID156784389
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name(6S)-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-2-ol
SMILESCC(C)c1cnn2c(N[C@H]3CCc4[nH]c5cc(O)ccc5c4C3)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H24FN7O/c1-13(2)20-12-28-33-24(20)31-23(14-7-15(26)11-27-10-14)32-25(33)29-16-3-6-21-19(8-16)18-5-4-17(34)9-22(18)30-21/h4-5,7,9-13,16,30,34H,3,6,8H2,1-2H3,(H,29,31,32)/t16-/m0/s1
InChIKeyASFSXXWXPLKCCX-INIZCTEOSA-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

Computed Properties (RDKit)

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

Analyze (6S)-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-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-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-2-ol?
The IUPAC name of (6S)-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-2-ol (CID 156784389) is (6S)-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-2-ol.
What is the SMILES notation for (6S)-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-2-ol?
The canonical SMILES for (6S)-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-2-ol is CC(C)c1cnn2c(N[C@H]3CCc4[nH]c5cc(O)ccc5c4C3)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of (6S)-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-2-ol?
The InChIKey is ASFSXXWXPLKCCX-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-13(2)20-12-28-33-24(20)31-23(14-7-15(26)11-27-10-14)32-25(33)29-16-3-6-21-19(8-16)18-5-4-17(34)9-22(18)30-21/h4-5,7,9-13,16,30,34H,3,6,8H2,1-2H3,(H,29,31,32)/t16-/m0/s1.
What are the key properties of (6S)-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-2-ol?
(6S)-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-2-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 (6S)-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-2-ol is sourced from PubChem (CID 156784389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).