3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H26N8O2 — CID 97448743

IUPAC3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCc4cccnc4)cn23)C1
InChIInChI=1S/C21H26N8O2/c1-26(2)21(31)28-10-9-27(3)17(14-28)19-25-24-18-7-6-16(13-29(18)19)20(30)23-12-15-5-4-8-22-11-15/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,23,30)/t17-/m0/s1
InChIKeyXYSSALXPKFZAHY-KRWDZBQOSA-N
MW422.49 g/mol
LogP1.02
Rot. Bonds4

About 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448743) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97448743
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCc4cccnc4)cn23)C1
InChIInChI=1S/C21H26N8O2/c1-26(2)21(31)28-10-9-27(3)17(14-28)19-25-24-18-7-6-16(13-29(18)19)20(30)23-12-15-5-4-8-22-11-15/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,23,30)/t17-/m0/s1
InChIKeyXYSSALXPKFZAHY-KRWDZBQOSA-N
XLogP1.02
TPSA98.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-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

3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448740
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878
N-benzyl-3-[(2R)-4-benzyl-1-methylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448640
N,N,4-trimethyl-3-[6-(morpholine-4-carbonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazine-1-carboxamide
CID 134068931
N-benzyl-3-[(2S)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 98776744
3-[(3R)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448263
3-[4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155838461
3-[(3S)-1-acetylpyrrolidin-3-yl]-N-(2-pyridin-3-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448306
N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075507
3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155851701
N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448188
N-(cyclopropylmethyl)-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657541

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448743) is 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCc4cccnc4)cn23)C1.
What is the InChIKey of 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XYSSALXPKFZAHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-26(2)21(31)28-10-9-27(3)17(14-28)19-25-24-18-7-6-16(13-29(18)19)20(30)23-12-15-5-4-8-22-11-15/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,23,30)/t17-/m0/s1.
What are the key properties of 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).