6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine

C28H23N5O — CID 3968341

IUPAC6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
SMILESCc1cc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c(C)n1Cc1ccco1
InChIInChI=1S/C28H23N5O/c1-19-16-24(20(2)32(19)17-23-14-9-15-34-23)25-18-33-28(29-25)30-26(21-10-5-3-6-11-21)27(31-33)22-12-7-4-8-13-22/h3-16,18H,17H2,1-2H3
InChIKeyHOKZWCQYSYCNOV-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.18
Rot. Bonds5

About 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine

6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine (PubChem CID 3968341) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
PubChem CID3968341
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
SMILESCc1cc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c(C)n1Cc1ccco1
InChIInChI=1S/C28H23N5O/c1-19-16-24(20(2)32(19)17-23-14-9-15-34-23)25-18-33-28(29-25)30-26(21-10-5-3-6-11-21)27(31-33)22-12-7-4-8-13-22/h3-16,18H,17H2,1-2H3
InChIKeyHOKZWCQYSYCNOV-UHFFFAOYSA-N
XLogP6.18
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine (CID 3968341) is 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine is Cc1cc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c(C)n1Cc1ccco1.
What is the InChIKey of 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is HOKZWCQYSYCNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-19-16-24(20(2)32(19)17-23-14-9-15-34-23)25-18-33-28(29-25)30-26(21-10-5-3-6-11-21)27(31-33)22-12-7-4-8-13-22/h3-16,18H,17H2,1-2H3.
What are the key properties of 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 445.53 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2,3-diphenylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 3968341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).