(3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

C20H15N3O2 — CID 102206320

IUPAC(3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESCOc1cccc(C(=O)c2cc3ccccc3n2-c2ncccn2)c1
InChIInChI=1S/C20H15N3O2/c1-25-16-8-4-7-15(12-16)19(24)18-13-14-6-2-3-9-17(14)23(18)20-21-10-5-11-22-20/h2-13H,1H3
InChIKeyPOGHTJYWUYAJMW-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.66
Rot. Bonds4

About (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

(3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 102206320) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID102206320
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name(3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESCOc1cccc(C(=O)c2cc3ccccc3n2-c2ncccn2)c1
InChIInChI=1S/C20H15N3O2/c1-25-16-8-4-7-15(12-16)19(24)18-13-14-6-2-3-9-17(14)23(18)20-21-10-5-11-22-20/h2-13H,1H3
InChIKeyPOGHTJYWUYAJMW-UHFFFAOYSA-N
XLogP3.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (CID 102206320) is (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is COc1cccc(C(=O)c2cc3ccccc3n2-c2ncccn2)c1.
What is the InChIKey of (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is POGHTJYWUYAJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-16-8-4-7-15(12-16)19(24)18-13-14-6-2-3-9-17(14)23(18)20-21-10-5-11-22-20/h2-13H,1H3.
What are the key properties of (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
(3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 102206320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).