(4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone

C19H14FN3O — CID 122142628

IUPAC(4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1-c1ccccc1)N1CCc2c(F)cccc21
InChIInChI=1S/C19H14FN3O/c20-16-7-4-8-17-14(16)9-10-23(17)19(24)15-11-21-12-22-18(15)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2
InChIKeyQJCVJOXJQXCOGP-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.49
Rot. Bonds2

About (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone

(4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone (PubChem CID 122142628) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone
PubChem CID122142628
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name(4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1-c1ccccc1)N1CCc2c(F)cccc21
InChIInChI=1S/C19H14FN3O/c20-16-7-4-8-17-14(16)9-10-23(17)19(24)15-11-21-12-22-18(15)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2
InChIKeyQJCVJOXJQXCOGP-UHFFFAOYSA-N
XLogP3.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone?
The IUPAC name of (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone (CID 122142628) is (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone is O=C(c1cncnc1-c1ccccc1)N1CCc2c(F)cccc21.
What is the InChIKey of (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone?
The InChIKey is QJCVJOXJQXCOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-16-7-4-8-17-14(16)9-10-23(17)19(24)15-11-21-12-22-18(15)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2.
What are the key properties of (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone?
(4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone has a molecular weight of 319.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,3-dihydroindol-1-yl)-(4-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 122142628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).