N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide

C21H22N6O — CID 67027539

IUPACN,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2Cn2ncnc2C(=O)N(C)C)cc1
InChIInChI=1S/C21H22N6O/c1-14-5-8-16(9-6-14)19-17(26-11-15(2)7-10-18(26)24-19)12-27-20(22-13-23-27)21(28)25(3)4/h5-11,13H,12H2,1-4H3
InChIKeyWAGQIAKSHJOZDG-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.96
Rot. Bonds4

About N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide

N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 67027539) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID67027539
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2Cn2ncnc2C(=O)N(C)C)cc1
InChIInChI=1S/C21H22N6O/c1-14-5-8-16(9-6-14)19-17(26-11-15(2)7-10-18(26)24-19)12-27-20(22-13-23-27)21(28)25(3)4/h5-11,13H,12H2,1-4H3
InChIKeyWAGQIAKSHJOZDG-UHFFFAOYSA-N
XLogP2.96
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate
CID 67324457
N,N,6-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 15768580
N,N-dimethyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 13267864
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 10319898
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023546
methyl N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]carbamate
CID 11536868
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
CID 77342331
N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11574366
2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
CID 59023533

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide (CID 67027539) is N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide is Cc1ccc(-c2nc3ccc(C)cn3c2Cn2ncnc2C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WAGQIAKSHJOZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-5-8-16(9-6-14)19-17(26-11-15(2)7-10-18(26)24-19)12-27-20(22-13-23-27)21(28)25(3)4/h5-11,13H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide?
N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 67027539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).