(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

C21H24N4O2 — CID 164637244

IUPAC(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1cccnc1)N(Cc1cnn(C)c1)CC2
InChIInChI=1S/C21H24N4O2/c1-24-13-15(11-23-24)14-25-8-6-16-9-19(26-2)20(27-3)10-18(16)21(25)17-5-4-7-22-12-17/h4-5,7,9-13,21H,6,8,14H2,1-3H3/t21-/m0/s1
InChIKeyRZENBQYCNBUFAL-NRFANRHFSA-N
MW364.45 g/mol
LogP2.98
Rot. Bonds5

About (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline

(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 164637244) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID164637244
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1cccnc1)N(Cc1cnn(C)c1)CC2
InChIInChI=1S/C21H24N4O2/c1-24-13-15(11-23-24)14-25-8-6-16-9-19(26-2)20(27-3)10-18(16)21(25)17-5-4-7-22-12-17/h4-5,7,9-13,21H,6,8,14H2,1-3H3/t21-/m0/s1
InChIKeyRZENBQYCNBUFAL-NRFANRHFSA-N
XLogP2.98
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline (CID 164637244) is (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)[C@H](c1cccnc1)N(Cc1cnn(C)c1)CC2.
What is the InChIKey of (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RZENBQYCNBUFAL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-13-15(11-23-24)14-25-8-6-16-9-19(26-2)20(27-3)10-18(16)21(25)17-5-4-7-22-12-17/h4-5,7,9-13,21H,6,8,14H2,1-3H3/t21-/m0/s1.
What are the key properties of (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline?
(1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 364.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-2-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 164637244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).