[2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C22H19N3O4 — CID 166631242

IUPAC[2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C22H19N3O4/c1-27-18-10-13(11-19(28-2)21(18)29-3)20(26)17-8-9-23-22(25-17)15-12-24-16-7-5-4-6-14(15)16/h4-12,24H,1-3H3
InChIKeyLCUGBMLRNREVAU-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.88
Rot. Bonds6

About [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 166631242) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID166631242
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC
InChIInChI=1S/C22H19N3O4/c1-27-18-10-13(11-19(28-2)21(18)29-3)20(26)17-8-9-23-22(25-17)15-12-24-16-7-5-4-6-14(15)16/h4-12,24H,1-3H3
InChIKeyLCUGBMLRNREVAU-UHFFFAOYSA-N
XLogP3.88
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 166631242) is [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccnc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC.
What is the InChIKey of [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LCUGBMLRNREVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-27-18-10-13(11-19(28-2)21(18)29-3)20(26)17-8-9-23-22(25-17)15-12-24-16-7-5-4-6-14(15)16/h4-12,24H,1-3H3.
What are the key properties of [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 389.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 166631242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).