ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine

C21H28N4 — CID 144598186

IUPACethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCC.CC.Cc1ccc2cnccc2c1.Cc1ccnc2[nH]ncc12
InChIInChI=1S/C10H9N.C7H7N3.2C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-5-2-3-8-7-6(5)4-9-10-7;2*1-2/h2-7H,1H3;2-4H,1H3,(H,8,9,10);2*1-2H3
InChIKeyLHNBLAFMPXLZHX-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.86
Rot. Bonds

About ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine

ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 144598186) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Nameethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID144598186
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Nameethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCC.CC.Cc1ccc2cnccc2c1.Cc1ccnc2[nH]ncc12
InChIInChI=1S/C10H9N.C7H7N3.2C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-5-2-3-8-7-6(5)4-9-10-7;2*1-2/h2-7H,1H3;2-4H,1H3,(H,8,9,10);2*1-2H3
InChIKeyLHNBLAFMPXLZHX-UHFFFAOYSA-N
XLogP5.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-methylisoquinoline
CID 145106291
6-methylisoquinoline;5-methylquinoline
CID 154664232
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
ethane;5-methyl-1H-indazole
CID 178026047
7-methyl-2H-phthalazine-1-thione
CID 143747305
6,8-dimethylisoquinoline;ethane
CID 143881412
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421
3H-indazolo[5,4-g]isoquinoline
CID 118510133
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
ethane;isoquinolin-6-amine
CID 143931414
4,6-dimethylisoquinoline;ethane
CID 145415846
1,6-dimethylisoquinoline;ethane
CID 156751069

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine (CID 144598186) is ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine is CC.CC.Cc1ccc2cnccc2c1.Cc1ccnc2[nH]ncc12.
What is the InChIKey of ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is LHNBLAFMPXLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C7H7N3.2C2H6/c1-8-2-3-10-7-11-5-4-9(10)6-8;1-5-2-3-8-7-6(5)4-9-10-7;2*1-2/h2-7H,1H3;2-4H,1H3,(H,8,9,10);2*1-2H3.
What are the key properties of ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine?
ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 336.48 g/mol, XLogP of 5.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylisoquinoline;4-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 144598186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).