(2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C19H20FN5O2 — CID 118470944

IUPAC(2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)c(F)c1
InChIInChI=1S/C19H20FN5O2/c1-12-8-17(25-19(23-12)21-11-22-25)13-4-3-7-24(10-13)18(26)15-6-5-14(27-2)9-16(15)20/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3
InChIKeyNRGJDWRZYNMHPE-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.60
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118470944) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118470944
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name(2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)c(F)c1
InChIInChI=1S/C19H20FN5O2/c1-12-8-17(25-19(23-12)21-11-22-25)13-4-3-7-24(10-13)18(26)15-6-5-14(27-2)9-16(15)20/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3
InChIKeyNRGJDWRZYNMHPE-UHFFFAOYSA-N
XLogP2.60
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118470944) is (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3cc(C)nc4ncnn34)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is NRGJDWRZYNMHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-8-17(25-19(23-12)21-11-22-25)13-4-3-7-24(10-13)18(26)15-6-5-14(27-2)9-16(15)20/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 369.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118470944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).