(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C17H14ClFN4O — CID 67300824

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CCc2ccc(CF)cc2C1
InChIInChI=1S/C17H14ClFN4O/c18-14-8-20-16-6-15(21-23(16)10-14)17(24)22-4-3-12-2-1-11(7-19)5-13(12)9-22/h1-2,5-6,8,10H,3-4,7,9H2
InChIKeyOQKIZJYRNQPQPV-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.05
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 67300824) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID67300824
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESO=C(c1cc2ncc(Cl)cn2n1)N1CCc2ccc(CF)cc2C1
InChIInChI=1S/C17H14ClFN4O/c18-14-8-20-16-6-15(21-23(16)10-14)17(24)22-4-3-12-2-1-11(7-19)5-13(12)9-22/h1-2,5-6,8,10H,3-4,7,9H2
InChIKeyOQKIZJYRNQPQPV-UHFFFAOYSA-N
XLogP3.05
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810686
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-ethyl-7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810470
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416346
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
CID 24810367
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 119051320
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24811930
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 66846336
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 59660657
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66875846
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811617

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 67300824) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is O=C(c1cc2ncc(Cl)cn2n1)N1CCc2ccc(CF)cc2C1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is OQKIZJYRNQPQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c18-14-8-20-16-6-15(21-23(16)10-14)17(24)22-4-3-12-2-1-11(7-19)5-13(12)9-22/h1-2,5-6,8,10H,3-4,7,9H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 344.78 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 67300824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).