3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H26FN7O2 — CID 97448740

IUPAC3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1
InChIInChI=1S/C22H26FN7O2/c1-27(2)22(32)29-10-9-28(3)18(14-29)20-26-25-19-8-7-16(13-30(19)20)21(31)24-12-15-5-4-6-17(23)11-15/h4-8,11,13,18H,9-10,12,14H2,1-3H3,(H,24,31)/t18-/m1/s1
InChIKeyNHDIKJQDZNNBRT-GOSISDBHSA-N
MW439.50 g/mol
LogP1.77
Rot. Bonds4

About 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448740) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97448740
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1
InChIInChI=1S/C22H26FN7O2/c1-27(2)22(32)29-10-9-28(3)18(14-29)20-26-25-19-8-7-16(13-30(19)20)21(31)24-12-15-5-4-6-17(23)11-15/h4-8,11,13,18H,9-10,12,14H2,1-3H3,(H,24,31)/t18-/m1/s1
InChIKeyNHDIKJQDZNNBRT-GOSISDBHSA-N
XLogP1.77
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[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-[(2S)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448743
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131646668
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-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075507
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-[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
N-(cyclopropylmethyl)-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657541
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
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075626
3-(1,4-dimethylpiperazin-2-yl)-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131646915
3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657175
N-[2-(diethylamino)ethyl]-3-[(2R)-1-methyl-4-pyrimidin-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448692

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448740) is 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1.
What is the InChIKey of 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is NHDIKJQDZNNBRT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-27(2)22(32)29-10-9-28(3)18(14-29)20-26-25-19-8-7-16(13-30(19)20)21(31)24-12-15-5-4-6-17(23)11-15/h4-8,11,13,18H,9-10,12,14H2,1-3H3,(H,24,31)/t18-/m1/s1.
What are the key properties of 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).