1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide

C24H30N6O — CID 653485

IUPAC1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1nc2ncnn2c(N2CCC(C(=O)NC3CCCC3)CC2)c1Cc1ccccc1
InChIInChI=1S/C24H30N6O/c1-17-21(15-18-7-3-2-4-8-18)23(30-24(27-17)25-16-26-30)29-13-11-19(12-14-29)22(31)28-20-9-5-6-10-20/h2-4,7-8,16,19-20H,5-6,9-15H2,1H3,(H,28,31)
InChIKeyOHOAZLTVSOAUQD-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.30
Rot. Bonds5

About 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide

1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 653485) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide
PubChem CID653485
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1nc2ncnn2c(N2CCC(C(=O)NC3CCCC3)CC2)c1Cc1ccccc1
InChIInChI=1S/C24H30N6O/c1-17-21(15-18-7-3-2-4-8-18)23(30-24(27-17)25-16-26-30)29-13-11-19(12-14-29)22(31)28-20-9-5-6-10-20/h2-4,7-8,16,19-20H,5-6,9-15H2,1H3,(H,28,31)
InChIKeyOHOAZLTVSOAUQD-UHFFFAOYSA-N
XLogP3.30
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide (CID 653485) is 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide is Cc1nc2ncnn2c(N2CCC(C(=O)NC3CCCC3)CC2)c1Cc1ccccc1.
What is the InChIKey of 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is OHOAZLTVSOAUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-21(15-18-7-3-2-4-8-18)23(30-24(27-17)25-16-26-30)29-13-11-19(12-14-29)22(31)28-20-9-5-6-10-20/h2-4,7-8,16,19-20H,5-6,9-15H2,1H3,(H,28,31).
What are the key properties of 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide?
1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 653485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).