(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone

C18H15FN4O — CID 166384198

IUPAC(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cncc2ccc(F)cc12)N1CCCC1c1ccncn1
InChIInChI=1S/C18H15FN4O/c19-13-4-3-12-9-21-10-15(14(12)8-13)18(24)23-7-1-2-17(23)16-5-6-20-11-22-16/h3-6,8-11,17H,1-2,7H2
InChIKeyFOOSROHUQLDOMG-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.14
Rot. Bonds2

About (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone

(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 166384198) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID166384198
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cncc2ccc(F)cc12)N1CCCC1c1ccncn1
InChIInChI=1S/C18H15FN4O/c19-13-4-3-12-9-21-10-15(14(12)8-13)18(24)23-7-1-2-17(23)16-5-6-20-11-22-16/h3-6,8-11,17H,1-2,7H2
InChIKeyFOOSROHUQLDOMG-UHFFFAOYSA-N
XLogP3.14
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
1,6-dimethyl-3-(2-pyrimidin-4-ylpyrrolidine-1-carbonyl)pyridin-2-one
CID 110118870
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 110114784
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60727625
2,3-dihydro-1,4-benzodioxin-5-yl-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 125017528
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124949721
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 95867221
6-fluoro-N-methyl-N-(1-pyridin-4-ylpyrrolidin-3-yl)isoquinoline-4-carboxamide
CID 167766392
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151

Frequently Asked Questions

What is the IUPAC name of (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone (CID 166384198) is (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cncc2ccc(F)cc12)N1CCCC1c1ccncn1.
What is the InChIKey of (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is FOOSROHUQLDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-13-4-3-12-9-21-10-15(14(12)8-13)18(24)23-7-1-2-17(23)16-5-6-20-11-22-16/h3-6,8-11,17H,1-2,7H2.
What are the key properties of (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 322.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166384198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).