2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole

C22H18N4 — CID 163972973

IUPAC2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole
SMILESCc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccncn2)nc1
InChIInChI=1S/C22H18N4/c1-16-6-7-17(24-14-16)9-11-22-20(10-8-18-12-13-23-15-25-18)19-4-2-3-5-21(19)26-22/h2-15,26H,1H3/b10-8+,11-9+
InChIKeySRPUUPVSNGYKDU-GFULKKFKSA-N
MW338.41 g/mol
LogP5.00
Rot. Bonds4

About 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole

2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole (PubChem CID 163972973) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole.

Molecular Properties

Compound Name2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole
PubChem CID163972973
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole
SMILESCc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccncn2)nc1
InChIInChI=1S/C22H18N4/c1-16-6-7-17(24-14-16)9-11-22-20(10-8-18-12-13-23-15-25-18)19-4-2-3-5-21(19)26-22/h2-15,26H,1H3/b10-8+,11-9+
InChIKeySRPUUPVSNGYKDU-GFULKKFKSA-N
XLogP5.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole?
The IUPAC name of 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole (CID 163972973) is 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole.
What is the SMILES notation for 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole?
The canonical SMILES for 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole is Cc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccncn2)nc1.
What is the InChIKey of 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole?
The InChIKey is SRPUUPVSNGYKDU-GFULKKFKSA-N. The full InChI is InChI=1S/C22H18N4/c1-16-6-7-17(24-14-16)9-11-22-20(10-8-18-12-13-23-15-25-18)19-4-2-3-5-21(19)26-22/h2-15,26H,1H3/b10-8+,11-9+.
What are the key properties of 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole?
2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole has a molecular weight of 338.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole is sourced from PubChem (CID 163972973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).