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

C56H58F2N12O2 — CID 165033184

IUPAC2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCC[C@@H](C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.COCC[C@H](C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/2C28H29FN6O/c2*1-17(9-10-36-2)25-16-31-35-27(25)33-26(20-12-21(29)15-30-14-20)34-28(35)32-22-8-7-19-11-18-5-3-4-6-23(18)24(19)13-22/h2*3-6,12,14-17,22H,7-11,13H2,1-2H3,(H,32,33,34)/t17-,22+;17-,22-/m01/s1
InChIKeyMZEJVUFCWIGPMJ-AHHJGRFESA-N
MW969.16 g/mol
LogP10.88
Rot. Bonds14

About 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 165033184) has the molecular formula C56H58F2N12O2 and a molecular weight of 969.16 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID165033184
Molecular FormulaC56H58F2N12O2
Molecular Weight969.16 g/mol
Exact Mass968.48
IUPAC Name2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCC[C@@H](C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.COCC[C@H](C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/2C28H29FN6O/c2*1-17(9-10-36-2)25-16-31-35-27(25)33-26(20-12-21(29)15-30-14-20)34-28(35)32-22-8-7-19-11-18-5-3-4-6-23(18)24(19)13-22/h2*3-6,12,14-17,22H,7-11,13H2,1-2H3,(H,32,33,34)/t17-,22+;17-,22-/m01/s1
InChIKeyMZEJVUFCWIGPMJ-AHHJGRFESA-N
XLogP10.88
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.16
LogP ≤ 510.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 165033184) is 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is COCC[C@@H](C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.COCC[C@H](C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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 MZEJVUFCWIGPMJ-AHHJGRFESA-N. The full InChI is InChI=1S/2C28H29FN6O/c2*1-17(9-10-36-2)25-16-31-35-27(25)33-26(20-12-21(29)15-30-14-20)34-28(35)32-22-8-7-19-11-18-5-3-4-6-23(18)24(19)13-22/h2*3-6,12,14-17,22H,7-11,13H2,1-2H3,(H,32,33,34)/t17-,22+;17-,22-/m01/s1.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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 969.16 g/mol, XLogP of 10.88, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-8-[(2S)-4-methoxybutan-2-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-[(2R)-4-methoxybutan-2-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 165033184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).