N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H21N5O2 — CID 156585731

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(CC1Cc2ccccc2O1)C(=O)c1ccc2nnc(-c3cccn3C)n2c1
InChIInChI=1S/C22H21N5O2/c1-25-11-5-7-18(25)21-24-23-20-10-9-16(13-27(20)21)22(28)26(2)14-17-12-15-6-3-4-8-19(15)29-17/h3-11,13,17H,12,14H2,1-2H3
InChIKeyXXQMHVJZHMVXLC-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.81
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 156585731) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID156585731
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCN(CC1Cc2ccccc2O1)C(=O)c1ccc2nnc(-c3cccn3C)n2c1
InChIInChI=1S/C22H21N5O2/c1-25-11-5-7-18(25)21-24-23-20-10-9-16(13-27(20)21)22(28)26(2)14-17-12-15-6-3-4-8-19(15)29-17/h3-11,13,17H,12,14H2,1-2H3
InChIKeyXXQMHVJZHMVXLC-UHFFFAOYSA-N
XLogP2.81
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50956664
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 157018139
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157019171
[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 162628007
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2,5-dimethyl-1H-imidazol-4-yl)-N-methylbenzamide;formic acid
CID 154911542
[(2S,3R)-2,3-dimethyl-4-methylsulfonylpiperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanone
CID 169420570
[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 156585181
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 156585731) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CN(CC1Cc2ccccc2O1)C(=O)c1ccc2nnc(-c3cccn3C)n2c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XXQMHVJZHMVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-25-11-5-7-18(25)21-24-23-20-10-9-16(13-27(20)21)22(28)26(2)14-17-12-15-6-3-4-8-19(15)29-17/h3-11,13,17H,12,14H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 156585731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).