2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline

C17H17N3 — CID 11594137

IUPAC2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3ccnn3c2)C1
InChIInChI=1S/C17H17N3/c1-19-10-13-4-2-3-5-16(13)17(12-19)14-6-7-15-8-9-18-20(15)11-14/h2-9,11,17H,10,12H2,1H3
InChIKeyXMNGPUYPQMMGIP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.91
Rot. Bonds1

About 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline

2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 11594137) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline
PubChem CID11594137
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3ccnn3c2)C1
InChIInChI=1S/C17H17N3/c1-19-10-13-4-2-3-5-16(13)17(12-19)14-6-7-15-8-9-18-20(15)11-14/h2-9,11,17H,10,12H2,1H3
InChIKeyXMNGPUYPQMMGIP-UHFFFAOYSA-N
XLogP2.91
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline (CID 11594137) is 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccc3ccnn3c2)C1.
What is the InChIKey of 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XMNGPUYPQMMGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-19-10-13-4-2-3-5-16(13)17(12-19)14-6-7-15-8-9-18-20(15)11-14/h2-9,11,17H,10,12H2,1H3.
What are the key properties of 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 263.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11594137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).