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

C24H21FN6 — CID 158049018

IUPAC2-(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
SMILESCc1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H21FN6/c1-14-11-27-31-23(14)29-22(17-9-18(25)13-26-12-17)30-24(31)28-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19/h2-5,9,11-13,19H,6-8,10H2,1H3,(H,28,29,30)/t19-/m1/s1
InChIKeyQOILMMKQSSBJAB-LJQANCHMSA-N
MW412.47 g/mol
LogP4.61
Rot. Bonds3

About 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

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 (PubChem CID 158049018) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158049018
Molecular FormulaC24H21FN6
Molecular Weight412.47 g/mol
Exact Mass412.18
IUPAC Name2-(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
SMILESCc1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C24H21FN6/c1-14-11-27-31-23(14)29-22(17-9-18(25)13-26-12-17)30-24(31)28-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19/h2-5,9,11-13,19H,6-8,10H2,1H3,(H,28,29,30)/t19-/m1/s1
InChIKeyQOILMMKQSSBJAB-LJQANCHMSA-N
XLogP4.61
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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)-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
5-(5-fluoro-3-pyridinyl)-N-(8-fluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158678850
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)-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
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)-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)-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)-8-methyl-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-methyl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 158049018) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 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?
The InChIKey is QOILMMKQSSBJAB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21FN6/c1-14-11-27-31-23(14)29-22(17-9-18(25)13-26-12-17)30-24(31)28-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19/h2-5,9,11-13,19H,6-8,10H2,1H3,(H,28,29,30)/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 412.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158049018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).