N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide

C25H26N6O3 — CID 3227303

IUPACN-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)c(OC)c1
InChIInChI=1S/C25H26N6O3/c1-33-19-8-9-20(22(14-19)34-2)28-24(32)18-10-12-30(13-11-18)23-15-21(17-6-4-3-5-7-17)29-25-26-16-27-31(23)25/h3-9,14-16,18H,10-13H2,1-2H3,(H,28,32)
InChIKeySWQYQPWORFCMGG-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.66
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide (PubChem CID 3227303) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
PubChem CID3227303
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)c(OC)c1
InChIInChI=1S/C25H26N6O3/c1-33-19-8-9-20(22(14-19)34-2)28-24(32)18-10-12-30(13-11-18)23-15-21(17-6-4-3-5-7-17)29-25-26-16-27-31(23)25/h3-9,14-16,18H,10-13H2,1-2H3,(H,28,32)
InChIKeySWQYQPWORFCMGG-UHFFFAOYSA-N
XLogP3.66
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276376
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277458
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3227365
N-[(4-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227327
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293
(3R)-N-(2,4-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085918
N-(2,4-dimethoxyphenyl)-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358585
N-(2,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514047

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide (CID 3227303) is N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The InChIKey is SWQYQPWORFCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-33-19-8-9-20(22(14-19)34-2)28-24(32)18-10-12-30(13-11-18)23-15-21(17-6-4-3-5-7-17)29-25-26-16-27-31(23)25/h3-9,14-16,18H,10-13H2,1-2H3,(H,28,32).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3227303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).