(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline

C20H25N5O3 — CID 95727314

IUPAC(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOCc1nc(N2CCc3cc(OC)c(OC)cc3[C@H]2C)c2cnn(C)c2n1
InChIInChI=1S/C20H25N5O3/c1-12-14-9-17(28-5)16(27-4)8-13(14)6-7-25(12)20-15-10-21-24(2)19(15)22-18(23-20)11-26-3/h8-10,12H,6-7,11H2,1-5H3/t12-/m1/s1
InChIKeyLMXSCRJPGYQJMA-GFCCVEGCSA-N
MW383.45 g/mol
LogP2.65
Rot. Bonds5

About (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline

(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 95727314) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID95727314
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOCc1nc(N2CCc3cc(OC)c(OC)cc3[C@H]2C)c2cnn(C)c2n1
InChIInChI=1S/C20H25N5O3/c1-12-14-9-17(28-5)16(27-4)8-13(14)6-7-25(12)20-15-10-21-24(2)19(15)22-18(23-20)11-26-3/h8-10,12H,6-7,11H2,1-5H3/t12-/m1/s1
InChIKeyLMXSCRJPGYQJMA-GFCCVEGCSA-N
XLogP2.65
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 3390089
(1R)-4,5-dimethoxy-15-methyl-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
CID 1481776
2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56816073
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
6-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2H-1,2,4-triazine-3,5-dione
CID 3845070
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
CID 26338876
2-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 18584562
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56883692
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167
6,7-dimethoxy-1-methyl-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline
CID 3100797
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543

Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline (CID 95727314) is (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline is COCc1nc(N2CCc3cc(OC)c(OC)cc3[C@H]2C)c2cnn(C)c2n1.
What is the InChIKey of (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is LMXSCRJPGYQJMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-14-9-17(28-5)16(27-4)8-13(14)6-7-25(12)20-15-10-21-24(2)19(15)22-18(23-20)11-26-3/h8-10,12H,6-7,11H2,1-5H3/t12-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline?
(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 383.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 95727314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).