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

C28H27FN6O — CID 164957385

IUPAC2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESC=C(CCOC)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C28H27FN6O/c1-17(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/h3-6,12,14-16,22H,1,7-11,13H2,2H3,(H,32,33,34)/t22-/m1/s1
InChIKeyBIZCSMFWHRQFHH-JOCHJYFZSA-N
MW482.56 g/mol
LogP5.35
Rot. Bonds7

About 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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-(4-methoxybut-1-en-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 164957385) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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-(4-methoxybut-1-en-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID164957385
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESC=C(CCOC)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/C28H27FN6O/c1-17(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/h3-6,12,14-16,22H,1,7-11,13H2,2H3,(H,32,33,34)/t22-/m1/s1
InChIKeyBIZCSMFWHRQFHH-JOCHJYFZSA-N
XLogP5.35
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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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Launch Full Analysis

Related Compounds

Unc569
CID 53355503
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289350
3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289351
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 155289349
(R)-3-(6-(1-(4-fluorophenyl)propylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 45486142
Trk-IN-21
CID 164886651

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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-(4-methoxybut-1-en-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 164957385) is 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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-(4-methoxybut-1-en-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-(4-methoxybut-1-en-2-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is C=C(CCOC)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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 BIZCSMFWHRQFHH-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-17(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/h3-6,12,14-16,22H,1,7-11,13H2,2H3,(H,32,33,34)/t22-/m1/s1.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-8-(4-methoxybut-1-en-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-(4-methoxybut-1-en-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 482.56 g/mol, XLogP of 5.35, 7 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-(4-methoxybut-1-en-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 164957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).