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

C18H22N4O4 — CID 162668788

IUPACN-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCCN(c1cc(OC)c(OC)c(OC)c1)c1n[nH]c2nc(OC)ccc12
InChIInChI=1S/C18H22N4O4/c1-6-22(11-9-13(23-2)16(26-5)14(10-11)24-3)18-12-7-8-15(25-4)19-17(12)20-21-18/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyNTRMPELEXAELTE-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.15
Rot. Bonds7

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

N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162668788) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID162668788
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCCN(c1cc(OC)c(OC)c(OC)c1)c1n[nH]c2nc(OC)ccc12
InChIInChI=1S/C18H22N4O4/c1-6-22(11-9-13(23-2)16(26-5)14(10-11)24-3)18-12-7-8-15(25-4)19-17(12)20-21-18/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyNTRMPELEXAELTE-UHFFFAOYSA-N
XLogP3.15
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 162668788) is N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is CCN(c1cc(OC)c(OC)c(OC)c1)c1n[nH]c2nc(OC)ccc12.
What is the InChIKey of N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is NTRMPELEXAELTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-6-22(11-9-13(23-2)16(26-5)14(10-11)24-3)18-12-7-8-15(25-4)19-17(12)20-21-18/h7-10H,6H2,1-5H3,(H,19,20,21).
What are the key properties of N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 358.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162668788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).