6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C17H20N4O4 — CID 162663411

IUPAC6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(C)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1
InChIInChI=1S/C17H20N4O4/c1-21(10-8-12(22-2)15(25-5)13(9-10)23-3)17-11-6-7-14(24-4)18-16(11)19-20-17/h6-9H,1-5H3,(H,18,19,20)
InChIKeyXQADMFBLCRWMAD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.76
Rot. Bonds6

About 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162663411) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID162663411
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(C)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1
InChIInChI=1S/C17H20N4O4/c1-21(10-8-12(22-2)15(25-5)13(9-10)23-3)17-11-6-7-14(24-4)18-16(11)19-20-17/h6-9H,1-5H3,(H,18,19,20)
InChIKeyXQADMFBLCRWMAD-UHFFFAOYSA-N
XLogP2.76
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 162663411) is 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is COc1ccc2c(N(C)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1.
What is the InChIKey of 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is XQADMFBLCRWMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-21(10-8-12(22-2)15(25-5)13(9-10)23-3)17-11-6-7-14(24-4)18-16(11)19-20-17/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 344.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162663411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).