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

C75H72F3N21 — CID 164992406

IUPAC8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@@H](N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/3C25H24FN7/c3*1-14(27)22-13-29-33-24(22)31-23(17-9-18(26)12-28-11-17)32-25(33)30-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19/h3*2-5,9,11-14,19H,6-8,10,27H2,1H3,(H,30,31,32)/t14?,19-;14-,19+;14-,19-/m101/s1
InChIKeyHAVWVZGUFYIFMO-ZDQCDIKNSA-N
MW1324.54 g/mol
LogP12.96
Rot. Bonds12

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

8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 164992406) has the molecular formula C75H72F3N21 and a molecular weight of 1324.54 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID164992406
Molecular FormulaC75H72F3N21
Molecular Weight1324.54 g/mol
Exact Mass1323.62
IUPAC Name8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@@H](N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/3C25H24FN7/c3*1-14(27)22-13-29-33-24(22)31-23(17-9-18(26)12-28-11-17)32-25(33)30-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19/h3*2-5,9,11-14,19H,6-8,10,27H2,1H3,(H,30,31,32)/t14?,19-;14-,19+;14-,19-/m101/s1
InChIKeyHAVWVZGUFYIFMO-ZDQCDIKNSA-N
XLogP12.96
TPSA282.06 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.54
LogP ≤ 512.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-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 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-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 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 164992406) is 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-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 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-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 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@@H](N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is HAVWVZGUFYIFMO-ZDQCDIKNSA-N. The full InChI is InChI=1S/3C25H24FN7/c3*1-14(27)22-13-29-33-24(22)31-23(17-9-18(26)12-28-11-17)32-25(33)30-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19/h3*2-5,9,11-14,19H,6-8,10,27H2,1H3,(H,30,31,32)/t14?,19-;14-,19+;14-,19-/m101/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-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 1324.54 g/mol, XLogP of 12.96, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-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 164992406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).