2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol

C26H25FN6O — CID 165087883

IUPAC2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C26H25FN6O/c1-26(2,34)22-14-29-33-24(22)31-23(17-10-18(27)13-28-12-17)32-25(33)30-19-8-7-16-9-15-5-3-4-6-20(15)21(16)11-19/h3-6,10,12-14,19,34H,7-9,11H2,1-2H3,(H,30,31,32)/t19-/m1/s1
InChIKeyWEVUJDXBGLQHGF-LJQANCHMSA-N
MW456.53 g/mol
LogP4.53
Rot. Bonds4

About 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol

2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol (PubChem CID 165087883) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol
PubChem CID165087883
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C26H25FN6O/c1-26(2,34)22-14-29-33-24(22)31-23(17-10-18(27)13-28-12-17)32-25(33)30-19-8-7-16-9-15-5-3-4-6-20(15)21(16)11-19/h3-6,10,12-14,19,34H,7-9,11H2,1-2H3,(H,30,31,32)/t19-/m1/s1
InChIKeyWEVUJDXBGLQHGF-LJQANCHMSA-N
XLogP4.53
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol with MolForge

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Related Compounds

5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
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(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289350
3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289351
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289349
(R)-3-(6-(1-(4-fluorophenyl)propylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 45486142
Trk-IN-21
CID 164886651

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol?
The IUPAC name of 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol (CID 165087883) is 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol?
The canonical SMILES for 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol is CC(C)(O)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol?
The InChIKey is WEVUJDXBGLQHGF-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-26(2,34)22-14-29-33-24(22)31-23(17-10-18(27)13-28-12-17)32-25(33)30-19-8-7-16-9-15-5-3-4-6-20(15)21(16)11-19/h3-6,10,12-14,19,34H,7-9,11H2,1-2H3,(H,30,31,32)/t19-/m1/s1.
What are the key properties of 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol?
2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol has a molecular weight of 456.53 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-2-ol is sourced from PubChem (CID 165087883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).