N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

C22H25N7O2 — CID 167937637

IUPACN-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)c1cnc2c(c1)nnn2C
InChIInChI=1S/C22H25N7O2/c1-4-18-17(22(31)29(26-18)13-15-8-6-5-7-14(15)2)9-10-23-21(30)16-11-19-20(24-12-16)28(3)27-25-19/h5-8,11-12,17H,4,9-10,13H2,1-3H3,(H,23,30)
InChIKeyYHDOXECYNBJJJS-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.22
Rot. Bonds7

About N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 167937637) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
PubChem CID167937637
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)c1cnc2c(c1)nnn2C
InChIInChI=1S/C22H25N7O2/c1-4-18-17(22(31)29(26-18)13-15-8-6-5-7-14(15)2)9-10-23-21(30)16-11-19-20(24-12-16)28(3)27-25-19/h5-8,11-12,17H,4,9-10,13H2,1-3H3,(H,23,30)
InChIKeyYHDOXECYNBJJJS-UHFFFAOYSA-N
XLogP2.22
TPSA105.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-5-phenylpyridine-3-carboxamide
CID 167991850
1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea
CID 119036413
N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 136521968
4-(cyanomethyl)-N-[2-[(4R)-3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]benzenesulfonamide
CID 100673542
3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
CID 154742725
2-amino-3-ethyl-N-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70723115
N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 86795418
N-[(2-methylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110850726
3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 70705407
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754
3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 167901133
3,4,5-triethoxy-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391840

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (CID 167937637) is N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is CCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)c1cnc2c(c1)nnn2C.
What is the InChIKey of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YHDOXECYNBJJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-4-18-17(22(31)29(26-18)13-15-8-6-5-7-14(15)2)9-10-23-21(30)16-11-19-20(24-12-16)28(3)27-25-19/h5-8,11-12,17H,4,9-10,13H2,1-3H3,(H,23,30).
What are the key properties of N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 167937637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).