5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole

C17H15FN4 — CID 141209432

IUPAC5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCc1nc(-c2ccc[nH]2)cc(N2CCc3cc(F)ccc32)n1
InChIInChI=1S/C17H15FN4/c1-11-20-15(14-3-2-7-19-14)10-17(21-11)22-8-6-12-9-13(18)4-5-16(12)22/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyAUGZAOQJKRDTSH-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.61
Rot. Bonds2

About 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole

5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 141209432) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole
PubChem CID141209432
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole
SMILESCc1nc(-c2ccc[nH]2)cc(N2CCc3cc(F)ccc32)n1
InChIInChI=1S/C17H15FN4/c1-11-20-15(14-3-2-7-19-14)10-17(21-11)22-8-6-12-9-13(18)4-5-16(12)22/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyAUGZAOQJKRDTSH-UHFFFAOYSA-N
XLogP3.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole (CID 141209432) is 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole is Cc1nc(-c2ccc[nH]2)cc(N2CCc3cc(F)ccc32)n1.
What is the InChIKey of 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is AUGZAOQJKRDTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-11-20-15(14-3-2-7-19-14)10-17(21-11)22-8-6-12-9-13(18)4-5-16(12)22/h2-5,7,9-10,19H,6,8H2,1H3.
What are the key properties of 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole?
5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 294.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-methyl-6-(1H-pyrrol-2-yl)pyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 141209432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).