N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

C18H23N7O2 — CID 126766253

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1nc2n(n1)CCCC2NC(=O)c1cc(N2CCNC(=O)C2)ccn1
InChIInChI=1S/C18H23N7O2/c1-2-15-22-17-13(4-3-8-25(17)23-15)21-18(27)14-10-12(5-6-19-14)24-9-7-20-16(26)11-24/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,20,26)(H,21,27)
InChIKeyHCVVQZMHFPEOTN-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.44
Rot. Bonds4

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 126766253) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID126766253
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1nc2n(n1)CCCC2NC(=O)c1cc(N2CCNC(=O)C2)ccn1
InChIInChI=1S/C18H23N7O2/c1-2-15-22-17-13(4-3-8-25(17)23-15)21-18(27)14-10-12(5-6-19-14)24-9-7-20-16(26)11-24/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,20,26)(H,21,27)
InChIKeyHCVVQZMHFPEOTN-UHFFFAOYSA-N
XLogP0.44
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154736412
N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126777633
3-ethoxy-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2-oxazole-5-carboxamide
CID 126814542
1-(2H-benzotriazol-5-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75431637
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
2-(4-aminophenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide;dihydrochloride
CID 119900239
4-(3-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 65363741
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 166218398
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxamide
CID 84596679
1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71972136
N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154743352

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (CID 126766253) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is CCc1nc2n(n1)CCCC2NC(=O)c1cc(N2CCNC(=O)C2)ccn1.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is HCVVQZMHFPEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-2-15-22-17-13(4-3-8-25(17)23-15)21-18(27)14-10-12(5-6-19-14)24-9-7-20-16(26)11-24/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,20,26)(H,21,27).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 126766253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).