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

C26H24FN5O — CID 159001438

IUPAC(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESC[C@H](O)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C26H24FN5O/c1-15(33)23-14-29-32-25(11-24(31-26(23)32)18-9-19(27)13-28-12-18)30-20-7-6-17-8-16-4-2-3-5-21(16)22(17)10-20/h2-5,9,11-15,20,30,33H,6-8,10H2,1H3/t15-,20+/m0/s1
InChIKeyUKERMXDGXNBOLT-MGPUTAFESA-N
MW441.51 g/mol
LogP4.96
Rot. Bonds4

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

(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (PubChem CID 159001438) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
PubChem CID159001438
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC Name(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESC[C@H](O)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cncc(F)c3)nc12
InChIInChI=1S/C26H24FN5O/c1-15(33)23-14-29-32-25(11-24(31-26(23)32)18-9-19(27)13-28-12-18)30-20-7-6-17-8-16-4-2-3-5-21(16)22(17)10-20/h2-5,9,11-15,20,30,33H,6-8,10H2,1H3/t15-,20+/m0/s1
InChIKeyUKERMXDGXNBOLT-MGPUTAFESA-N
XLogP4.96
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 21066379
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CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (CID 159001438) is (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is C[C@H](O)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cncc(F)c3)nc12.
What is the InChIKey of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The InChIKey is UKERMXDGXNBOLT-MGPUTAFESA-N. The full InChI is InChI=1S/C26H24FN5O/c1-15(33)23-14-29-32-25(11-24(31-26(23)32)18-9-19(27)13-28-12-18)30-20-7-6-17-8-16-4-2-3-5-21(16)22(17)10-20/h2-5,9,11-15,20,30,33H,6-8,10H2,1H3/t15-,20+/m0/s1.
What are the key properties of (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
(1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol has a molecular weight of 441.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(5-fluoro-3-pyridinyl)-7-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 159001438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).