2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine

C23H19N9O — CID 141102853

IUPAC2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCn1cncc1-c1c(-c2ccc[nH]2)nc(-c2ccco2)c(-c2ncn[nH]2)c1-c1nccn1C
InChIInChI=1S/C23H19N9O/c1-31-9-8-26-23(31)18-17(15-11-24-13-32(15)2)20(14-5-3-7-25-14)29-21(16-6-4-10-33-16)19(18)22-27-12-28-30-22/h3-13,25H,1-2H3,(H,27,28,30)
InChIKeyKAMDGFBTULXSPC-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.92
Rot. Bonds5

About 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine

2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 141102853) has the molecular formula C23H19N9O and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID141102853
Molecular FormulaC23H19N9O
Molecular Weight437.47 g/mol
Exact Mass437.17
IUPAC Name2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCn1cncc1-c1c(-c2ccc[nH]2)nc(-c2ccco2)c(-c2ncn[nH]2)c1-c1nccn1C
InChIInChI=1S/C23H19N9O/c1-31-9-8-26-23(31)18-17(15-11-24-13-32(15)2)20(14-5-3-7-25-14)29-21(16-6-4-10-33-16)19(18)22-27-12-28-30-22/h3-13,25H,1-2H3,(H,27,28,30)
InChIKeyKAMDGFBTULXSPC-UHFFFAOYSA-N
XLogP3.92
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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CID 25190977
N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
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CID 46226156
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560
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CID 44403150
US8927738, 2-[2-(2-Furan-2-yl-1H-imidazol-4-yl)-ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 67258077
ethyl (2R)-2-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]amino]-3-(1H-indol-2-yl)propanoate
CID 162657755
4-[4-[4-(5-Methylfuran-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]butanenitrile
CID 164612264
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CID 164616681
5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137054976
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
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2-Amino-6-(furan-2-yl)-4-(5-imidazol-1-yl-3-methyl-1-phenylpyrazol-4-yl)pyridine-3-carbonitrile
CID 90682904

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine (CID 141102853) is 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine is Cn1cncc1-c1c(-c2ccc[nH]2)nc(-c2ccco2)c(-c2ncn[nH]2)c1-c1nccn1C.
What is the InChIKey of 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is KAMDGFBTULXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N9O/c1-31-9-8-26-23(31)18-17(15-11-24-13-32(15)2)20(14-5-3-7-25-14)29-21(16-6-4-10-33-16)19(18)22-27-12-28-30-22/h3-13,25H,1-2H3,(H,27,28,30).
What are the key properties of 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine?
2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 437.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(1-methylimidazol-2-yl)-5-(3-methylimidazol-4-yl)-6-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 141102853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).