2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C27H25FN6O — CID 165087180

IUPAC2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESFc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4CCOC4)c3n2)c1
InChIInChI=1S/C27H25FN6O/c28-20-10-19(12-29-13-20)25-32-26-24(18-7-8-35-15-18)14-30-34(26)27(33-25)31-21-6-5-17-9-16-3-1-2-4-22(16)23(17)11-21/h1-4,10,12-14,18,21H,5-9,11,15H2,(H,31,32,33)/t18?,21-/m1/s1
InChIKeyWCBYRGLUGBYHSH-BDPMCISCSA-N
MW468.54 g/mol
LogP4.80
Rot. Bonds4

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

2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 165087180) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID165087180
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC Name2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESFc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4CCOC4)c3n2)c1
InChIInChI=1S/C27H25FN6O/c28-20-10-19(12-29-13-20)25-32-26-24(18-7-8-35-15-18)14-30-34(26)27(33-25)31-21-6-5-17-9-16-3-1-2-4-22(16)23(17)11-21/h1-4,10,12-14,18,21H,5-9,11,15H2,(H,31,32,33)/t18?,21-/m1/s1
InChIKeyWCBYRGLUGBYHSH-BDPMCISCSA-N
XLogP4.80
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 165087180) is 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(C4CCOC4)c3n2)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is WCBYRGLUGBYHSH-BDPMCISCSA-N. The full InChI is InChI=1S/C27H25FN6O/c28-20-10-19(12-29-13-20)25-32-26-24(18-7-8-35-15-18)14-30-34(26)27(33-25)31-21-6-5-17-9-16-3-1-2-4-22(16)23(17)11-21/h1-4,10,12-14,18,21H,5-9,11,15H2,(H,31,32,33)/t18?,21-/m1/s1.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 468.54 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 165087180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).