(4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone

C20H14FN3O2 — CID 154713292

IUPAC(4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1ccc(F)cc1)n2-c1ncccn1
InChIInChI=1S/C20H14FN3O2/c1-26-16-7-8-17-14(11-16)12-18(24(17)20-22-9-2-10-23-20)19(25)13-3-5-15(21)6-4-13/h2-12H,1H3
InChIKeyRZAZJWZDXXKKAB-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.80
Rot. Bonds4

About (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone

(4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 154713292) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID154713292
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name(4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1ccc(F)cc1)n2-c1ncccn1
InChIInChI=1S/C20H14FN3O2/c1-26-16-7-8-17-14(11-16)12-18(24(17)20-22-9-2-10-23-20)19(25)13-3-5-15(21)6-4-13/h2-12H,1H3
InChIKeyRZAZJWZDXXKKAB-UHFFFAOYSA-N
XLogP3.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone (CID 154713292) is (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone is COc1ccc2c(c1)cc(C(=O)c1ccc(F)cc1)n2-c1ncccn1.
What is the InChIKey of (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is RZAZJWZDXXKKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-26-16-7-8-17-14(11-16)12-18(24(17)20-22-9-2-10-23-20)19(25)13-3-5-15(21)6-4-13/h2-12H,1H3.
What are the key properties of (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone?
(4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone has a molecular weight of 347.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-methoxy-1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 154713292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).