3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine

C21H20N4O3 — CID 134140759

IUPAC3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine
SMILESCOc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIInChI=1S/C21H20N4O3/c1-26-16-11-14(12-17(27-2)20(16)28-3)23-21-19-15(9-10-22-21)18(24-25-19)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyPDMOOGGSAAZHAT-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.39
Rot. Bonds6

About 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine

3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine (PubChem CID 134140759) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine.

Molecular Properties

Compound Name3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine
PubChem CID134140759
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine
SMILESCOc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC
InChIInChI=1S/C21H20N4O3/c1-26-16-11-14(12-17(27-2)20(16)28-3)23-21-19-15(9-10-22-21)18(24-25-19)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyPDMOOGGSAAZHAT-UHFFFAOYSA-N
XLogP4.39
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine?
The IUPAC name of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine (CID 134140759) is 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine.
What is the SMILES notation for 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine?
The canonical SMILES for 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine is COc1cc(Nc2nccc3c(-c4ccccc4)n[nH]c23)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine?
The InChIKey is PDMOOGGSAAZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-26-16-11-14(12-17(27-2)20(16)28-3)23-21-19-15(9-10-22-21)18(24-25-19)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine?
3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine has a molecular weight of 376.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-c]pyridin-7-amine is sourced from PubChem (CID 134140759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).