(1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol

C25H23FN6O — CID 135376799

IUPAC(1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESC[C@@H](O)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H23FN6O/c1-14(33)20-13-28-32-24(10-23(31-25(20)32)15-8-16(26)12-27-11-15)29-17-6-7-22-19(9-17)18-4-2-3-5-21(18)30-22/h2-5,8,10-14,17,29-30,33H,6-7,9H2,1H3/t14-,17-/m1/s1
InChIKeyOYGRKAXYUQWYKO-RHSMWYFYSA-N
MW442.50 g/mol
LogP4.43
Rot. Bonds4

About (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol

(1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (PubChem CID 135376799) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
PubChem CID135376799
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name(1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESC[C@@H](O)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C25H23FN6O/c1-14(33)20-13-28-32-24(10-23(31-25(20)32)15-8-16(26)12-27-11-15)29-17-6-7-22-19(9-17)18-4-2-3-5-21(18)30-22/h2-5,8,10-14,17,29-30,33H,6-7,9H2,1H3/t14-,17-/m1/s1
InChIKeyOYGRKAXYUQWYKO-RHSMWYFYSA-N
XLogP4.43
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (CID 135376799) is (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is C[C@@H](O)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The InChIKey is OYGRKAXYUQWYKO-RHSMWYFYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-14(33)20-13-28-32-24(10-23(31-25(20)32)15-8-16(26)12-27-11-15)29-17-6-7-22-19(9-17)18-4-2-3-5-21(18)30-22/h2-5,8,10-14,17,29-30,33H,6-7,9H2,1H3/t14-,17-/m1/s1.
What are the key properties of (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
(1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol has a molecular weight of 442.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 135376799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).