(Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine

C22H24FN5O — CID 137446326

IUPAC(Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine
SMILESCCc1ccc(/C(=C/N(C)C)c2nncn2Cc2c(F)ccc3c2CCO3)cn1
InChIInChI=1S/C22H24FN5O/c1-4-16-6-5-15(11-24-16)18(12-27(2)3)22-26-25-14-28(22)13-19-17-9-10-29-21(17)8-7-20(19)23/h5-8,11-12,14H,4,9-10,13H2,1-3H3/b18-12-
InChIKeyBJVUOIMRRIMQLB-PDGQHHTCSA-N
MW393.47 g/mol
LogP3.31
Rot. Bonds6

About (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine

(Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine (PubChem CID 137446326) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine
PubChem CID137446326
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name(Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine
SMILESCCc1ccc(/C(=C/N(C)C)c2nncn2Cc2c(F)ccc3c2CCO3)cn1
InChIInChI=1S/C22H24FN5O/c1-4-16-6-5-15(11-24-16)18(12-27(2)3)22-26-25-14-28(22)13-19-17-9-10-29-21(17)8-7-20(19)23/h5-8,11-12,14H,4,9-10,13H2,1-3H3/b18-12-
InChIKeyBJVUOIMRRIMQLB-PDGQHHTCSA-N
XLogP3.31
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine with MolForge

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Related Compounds

Mak-683
CID 121412508
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
Pociredir
CID 155128494
5-Fluoro-4-[[[8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 156022749
5-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-N-methyl-8-N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
CID 162368300
US11091495, Example 228
CID 152324986
N-[(7-amino-5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 162658383
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
7-{2-[(4-Fluorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3844416
1-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6860057
5-(3-(4-(4-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11538526
5-(3-(4-(3-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11618185

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine?
The IUPAC name of (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine (CID 137446326) is (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine?
The canonical SMILES for (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine is CCc1ccc(/C(=C/N(C)C)c2nncn2Cc2c(F)ccc3c2CCO3)cn1.
What is the InChIKey of (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine?
The InChIKey is BJVUOIMRRIMQLB-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-4-16-6-5-15(11-24-16)18(12-27(2)3)22-26-25-14-28(22)13-19-17-9-10-29-21(17)8-7-20(19)23/h5-8,11-12,14H,4,9-10,13H2,1-3H3/b18-12-.
What are the key properties of (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine?
(Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine has a molecular weight of 393.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(6-ethyl-3-pyridinyl)-2-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 137446326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).