ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

C17H22N4O — CID 168946264

IUPACethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC.COc1ccc(CNc2nccc3n[nH]c(C)c23)cc1
InChIInChI=1S/C15H16N4O.C2H6/c1-10-14-13(19-18-10)7-8-16-15(14)17-9-11-3-5-12(20-2)6-4-11;1-2/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19);1-2H3
InChIKeyMTSBOABUWPLWCP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.91
Rot. Bonds4

About ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 168946264) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Nameethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID168946264
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Nameethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC.COc1ccc(CNc2nccc3n[nH]c(C)c23)cc1
InChIInChI=1S/C15H16N4O.C2H6/c1-10-14-13(19-18-10)7-8-16-15(14)17-9-11-3-5-12(20-2)6-4-11;1-2/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19);1-2H3
InChIKeyMTSBOABUWPLWCP-UHFFFAOYSA-N
XLogP3.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
3-methyl-N-propyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59619092
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692712
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
CID 160683192
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-indazole-4-carboxamide
CID 91065050
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-[(4-methoxyphenyl)methylamino]-1H-pyridazine-6-thione
CID 106523217
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 168946264) is ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine is CC.COc1ccc(CNc2nccc3n[nH]c(C)c23)cc1.
What is the InChIKey of ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is MTSBOABUWPLWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C2H6/c1-10-14-13(19-18-10)7-8-16-15(14)17-9-11-3-5-12(20-2)6-4-11;1-2/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19);1-2H3.
What are the key properties of ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 168946264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).