(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C20H24FN3O2 — CID 167795253

IUPAC(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCc1cc(F)c2c(c1)CCN(C(=O)c1nn(C)c3c1C[C@@H](C)O[C@H]3C)C2
InChIInChI=1S/C20H24FN3O2/c1-11-7-14-5-6-24(10-16(14)17(21)8-11)20(25)18-15-9-12(2)26-13(3)19(15)23(4)22-18/h7-8,12-13H,5-6,9-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyFVNNOOVIQHDWDA-OLZOCXBDSA-N
MW357.43 g/mol
LogP3.09
Rot. Bonds1

About (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 167795253) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID167795253
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCc1cc(F)c2c(c1)CCN(C(=O)c1nn(C)c3c1C[C@@H](C)O[C@H]3C)C2
InChIInChI=1S/C20H24FN3O2/c1-11-7-14-5-6-24(10-16(14)17(21)8-11)20(25)18-15-9-12(2)26-13(3)19(15)23(4)22-18/h7-8,12-13H,5-6,9-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyFVNNOOVIQHDWDA-OLZOCXBDSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 167795253) is (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is Cc1cc(F)c2c(c1)CCN(C(=O)c1nn(C)c3c1C[C@@H](C)O[C@H]3C)C2.
What is the InChIKey of (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is FVNNOOVIQHDWDA-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-11-7-14-5-6-24(10-16(14)17(21)8-11)20(25)18-15-9-12(2)26-13(3)19(15)23(4)22-18/h7-8,12-13H,5-6,9-10H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 167795253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).