N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide

C19H18N6O2 — CID 122323475

IUPACN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1cn(C)nn1
InChIInChI=1S/C19H18N6O2/c1-12-5-4-8-25-11-15(20-18(12)25)13-6-7-17(27-3)14(9-13)21-19(26)16-10-24(2)23-22-16/h4-11H,1-3H3,(H,21,26)
InChIKeyDBBRTVJTGFPFQF-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.70
Rot. Bonds4

About N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide

N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide (PubChem CID 122323475) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide
PubChem CID122323475
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1cn(C)nn1
InChIInChI=1S/C19H18N6O2/c1-12-5-4-8-25-11-15(20-18(12)25)13-6-7-17(27-3)14(9-13)21-19(26)16-10-24(2)23-22-16/h4-11H,1-3H3,(H,21,26)
InChIKeyDBBRTVJTGFPFQF-UHFFFAOYSA-N
XLogP2.70
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide (CID 122323475) is N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide is COc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1cn(C)nn1.
What is the InChIKey of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
The InChIKey is DBBRTVJTGFPFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-5-4-8-25-11-15(20-18(12)25)13-6-7-17(27-3)14(9-13)21-19(26)16-10-24(2)23-22-16/h4-11H,1-3H3,(H,21,26).
What are the key properties of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide?
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 122323475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).