7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C22H22N6 — CID 95060087

IUPAC7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn12
InChIInChI=1S/C22H22N6/c1-16-8-5-6-13-27(16)20-14-19(17-9-3-2-4-10-17)24-22-25-21(26-28(20)22)18-11-7-12-23-15-18/h2-4,7,9-12,14-16H,5-6,8,13H2,1H3/t16-/m1/s1
InChIKeySUECYXILKVETTH-MRXNPFEDSA-N
MW370.46 g/mol
LogP4.23
Rot. Bonds3

About 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 95060087) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID95060087
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn12
InChIInChI=1S/C22H22N6/c1-16-8-5-6-13-27(16)20-14-19(17-9-3-2-4-10-17)24-22-25-21(26-28(20)22)18-11-7-12-23-15-18/h2-4,7,9-12,14-16H,5-6,8,13H2,1H3/t16-/m1/s1
InChIKeySUECYXILKVETTH-MRXNPFEDSA-N
XLogP4.23
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-methyl-2-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 27186929
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170265
2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440817
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53045708
5-phenyl-N-(4-phenylbutan-2-yl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53003478
5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 93064915
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741291
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236
2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 110240122
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 95060087) is 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is C[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn12.
What is the InChIKey of 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SUECYXILKVETTH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N6/c1-16-8-5-6-13-27(16)20-14-19(17-9-3-2-4-10-17)24-22-25-21(26-28(20)22)18-11-7-12-23-15-18/h2-4,7,9-12,14-16H,5-6,8,13H2,1H3/t16-/m1/s1.
What are the key properties of 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 370.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95060087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).