1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide

C19H19N5O2 — CID 32966425

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1Cc1ccco1
InChIInChI=1S/C19H19N5O2/c1-13-10-16(14(2)24(13)12-15-6-5-9-26-15)19(25)20-11-18-22-21-17-7-3-4-8-23(17)18/h3-10H,11-12H2,1-2H3,(H,20,25)
InChIKeyZWHZJFIUMJUYEV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.72
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide (PubChem CID 32966425) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
PubChem CID32966425
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1Cc1ccco1
InChIInChI=1S/C19H19N5O2/c1-13-10-16(14(2)24(13)12-15-6-5-9-26-15)19(25)20-11-18-22-21-17-7-3-4-8-23(17)18/h3-10H,11-12H2,1-2H3,(H,20,25)
InChIKeyZWHZJFIUMJUYEV-UHFFFAOYSA-N
XLogP2.72
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-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

1-(2-fluorophenyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 46531688
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
ethyl 2,5-dimethyl-1-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]pyrrole-3-carboxylate
CID 31746142
N-(furan-2-ylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78805100
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 47011823
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide (CID 32966425) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is ZWHZJFIUMJUYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-10-16(14(2)24(13)12-15-6-5-9-26-15)19(25)20-11-18-22-21-17-7-3-4-8-23(17)18/h3-10H,11-12H2,1-2H3,(H,20,25).
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 32966425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).