8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C25H21FN6 — CID 10173378

IUPAC8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCC(C)(Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c2nncn12)c1ccccc1
InChIInChI=1S/C25H21FN6/c1-25(2,19-6-4-3-5-7-19)30-24-29-22(18-12-14-27-15-13-18)21(23-31-28-16-32(23)24)17-8-10-20(26)11-9-17/h3-16H,1-2H3,(H,29,30)
InChIKeyXDIYEBULGSKGIW-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.34
Rot. Bonds5

About 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 10173378) has the molecular formula C25H21FN6 and a molecular weight of 424.48 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID10173378
Molecular FormulaC25H21FN6
Molecular Weight424.48 g/mol
Exact Mass424.18
IUPAC Name8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCC(C)(Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c2nncn12)c1ccccc1
InChIInChI=1S/C25H21FN6/c1-25(2,19-6-4-3-5-7-19)30-24-29-22(18-12-14-27-15-13-18)21(23-31-28-16-32(23)24)17-8-10-20(26)11-9-17/h3-16H,1-2H3,(H,29,30)
InChIKeyXDIYEBULGSKGIW-UHFFFAOYSA-N
XLogP5.34
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-phenylpropane-1,2-diamine
CID 22346572
2-(2-anilinoethylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767896
7-(4-fluorophenyl)-8-pyridin-4-ylpyrazolo[5,1-c][1,2,4]triazine
CID 22909019
2-(3,3-diphenylpropylamino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767912
5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 20816924
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
CID 174424847
5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 18767931
8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427017
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one;2-[[(3S)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 70347090
2-[[(3R)-3-amino-3-phenylpropyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22091783
4-chloro-2-(4-fluorophenyl)-3-pyridin-4-ylquinoline
CID 139651658
5-(4-fluorophenyl)-3-methyl-2-[[(3R)-3-phenyl-3-(propan-2-ylamino)propyl]amino]-6-pyridin-4-ylpyrimidin-4-one
CID 22091809

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 10173378) is 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CC(C)(Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c2nncn12)c1ccccc1.
What is the InChIKey of 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is XDIYEBULGSKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6/c1-25(2,19-6-4-3-5-7-19)30-24-29-22(18-12-14-27-15-13-18)21(23-31-28-16-32(23)24)17-8-10-20(26)11-9-17/h3-16H,1-2H3,(H,29,30).
What are the key properties of 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 424.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 10173378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).