7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H21F3N6O3 — CID 146387207

IUPAC7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C22H21F3N6O3/c1-11-7-13(8-16(27-11)22(23,24)25)18-19(15-4-3-12(2)34-15)29-21(26)31-20(18)28-17(30-31)10-33-14-5-6-32-9-14/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H2,26,29)/t14-/m0/s1
InChIKeyNUSXQSCWXWGMOZ-AWEZNQCLSA-N
MW474.44 g/mol
LogP3.97
Rot. Bonds5

About 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387207) has the molecular formula C22H21F3N6O3 and a molecular weight of 474.44 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387207
Molecular FormulaC22H21F3N6O3
Molecular Weight474.44 g/mol
Exact Mass474.16
IUPAC Name7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C22H21F3N6O3/c1-11-7-13(8-16(27-11)22(23,24)25)18-19(15-4-3-12(2)34-15)29-21(26)31-20(18)28-17(30-31)10-33-14-5-6-32-9-14/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H2,26,29)/t14-/m0/s1
InChIKeyNUSXQSCWXWGMOZ-AWEZNQCLSA-N
XLogP3.97
TPSA113.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387207) is 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1.
What is the InChIKey of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is NUSXQSCWXWGMOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21F3N6O3/c1-11-7-13(8-16(27-11)22(23,24)25)18-19(15-4-3-12(2)34-15)29-21(26)31-20(18)28-17(30-31)10-33-14-5-6-32-9-14/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H2,26,29)/t14-/m0/s1.
What are the key properties of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 474.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).