[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C18H16F2N4O — CID 975205

IUPAC[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C(F)F)n2ncc(C(=O)N3CCc4ccccc4C3)c2n1
InChIInChI=1S/C18H16F2N4O/c1-11-8-15(16(19)20)24-17(22-11)14(9-21-24)18(25)23-7-6-12-4-2-3-5-13(12)10-23/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyZUCWMTZNQIYZFB-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.17
Rot. Bonds2

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

[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 975205) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID975205
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C(F)F)n2ncc(C(=O)N3CCc4ccccc4C3)c2n1
InChIInChI=1S/C18H16F2N4O/c1-11-8-15(16(19)20)24-17(22-11)14(9-21-24)18(25)23-7-6-12-4-2-3-5-13(12)10-23/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyZUCWMTZNQIYZFB-UHFFFAOYSA-N
XLogP3.17
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 975205) is [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1cc(C(F)F)n2ncc(C(=O)N3CCc4ccccc4C3)c2n1.
What is the InChIKey of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is ZUCWMTZNQIYZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-11-8-15(16(19)20)24-17(22-11)14(9-21-24)18(25)23-7-6-12-4-2-3-5-13(12)10-23/h2-5,8-9,16H,6-7,10H2,1H3.
What are the key properties of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 342.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 975205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).