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

C25H20FN9 — CID 164978756

IUPAC2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESFc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4cn[nH]n4)c3n2)c1
InChIInChI=1S/C25H20FN9/c26-17-8-16(10-27-11-17)23-31-24-21(22-13-28-34-33-22)12-29-35(24)25(32-23)30-18-6-5-15-7-14-3-1-2-4-19(14)20(15)9-18/h1-4,8,10-13,18H,5-7,9H2,(H,28,33,34)(H,30,31,32)/t18-/m1/s1
InChIKeyFDZKZUJYYXWOSU-GOSISDBHSA-N
MW465.50 g/mol
LogP4.08
Rot. Bonds4

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

2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 164978756) has the molecular formula C25H20FN9 and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID164978756
Molecular FormulaC25H20FN9
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESFc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4cn[nH]n4)c3n2)c1
InChIInChI=1S/C25H20FN9/c26-17-8-16(10-27-11-17)23-31-24-21(22-13-28-34-33-22)12-29-35(24)25(32-23)30-18-6-5-15-7-14-3-1-2-4-19(14)20(15)9-18/h1-4,8,10-13,18H,5-7,9H2,(H,28,33,34)(H,30,31,32)/t18-/m1/s1
InChIKeyFDZKZUJYYXWOSU-GOSISDBHSA-N
XLogP4.08
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158049018
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
4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine
CID 165057205
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
2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 164952361
N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158521162
2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165038522
2-(5-fluoro-3-pyridinyl)-8-(3-methoxyprop-1-en-2-yl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]methyl]pyrazolo[1,5-a][1,3,5]triazine
CID 165078654
2-(5-fluoro-3-pyridinyl)-8-N,8-N-dimethyl-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
CID 135376701
2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159796267
(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-(1H-imidazol-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 146406291
2-(5-fluoro-3-pyridinyl)-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
CID 156784476

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 164978756) is 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is Fc1cncc(-c2nc(N[C@@H]3CCC4=C(C3)c3ccccc3C4)n3ncc(-c4cn[nH]n4)c3n2)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is FDZKZUJYYXWOSU-GOSISDBHSA-N. The full InChI is InChI=1S/C25H20FN9/c26-17-8-16(10-27-11-17)23-31-24-21(22-13-28-34-33-22)12-29-35(24)25(32-23)30-18-6-5-15-7-14-3-1-2-4-19(14)20(15)9-18/h1-4,8,10-13,18H,5-7,9H2,(H,28,33,34)(H,30,31,32)/t18-/m1/s1.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 465.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 164978756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).