3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

C16H18N6O — CID 155916768

IUPAC3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1nnc2n1CC(CNC(=O)c1nc3ccccn3c1C)C2
InChIInChI=1S/C16H18N6O/c1-10-15(18-13-5-3-4-6-21(10)13)16(23)17-8-12-7-14-20-19-11(2)22(14)9-12/h3-6,12H,7-9H2,1-2H3,(H,17,23)
InChIKeyDBGQUUUECOOWCG-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.14
Rot. Bonds3

About 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 155916768) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID155916768
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1nnc2n1CC(CNC(=O)c1nc3ccccn3c1C)C2
InChIInChI=1S/C16H18N6O/c1-10-15(18-13-5-3-4-6-21(10)13)16(23)17-8-12-7-14-20-19-11(2)22(14)9-12/h3-6,12H,7-9H2,1-2H3,(H,17,23)
InChIKeyDBGQUUUECOOWCG-UHFFFAOYSA-N
XLogP1.14
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 155916768) is 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1nnc2n1CC(CNC(=O)c1nc3ccccn3c1C)C2.
What is the InChIKey of 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DBGQUUUECOOWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10-15(18-13-5-3-4-6-21(10)13)16(23)17-8-12-7-14-20-19-11(2)22(14)9-12/h3-6,12H,7-9H2,1-2H3,(H,17,23).
What are the key properties of 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide?
3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 155916768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).