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

C23H24N4O4 — CID 162649447

IUPACN-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(Cc3ccccc3)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1
InChIInChI=1S/C23H24N4O4/c1-28-18-12-16(13-19(29-2)21(18)31-4)27(14-15-8-6-5-7-9-15)23-17-10-11-20(30-3)24-22(17)25-26-23/h5-13H,14H2,1-4H3,(H,24,25,26)
InChIKeyULASFEMYLJUIRT-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.33
Rot. Bonds8

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

N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162649447) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID162649447
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(N(Cc3ccccc3)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1
InChIInChI=1S/C23H24N4O4/c1-28-18-12-16(13-19(29-2)21(18)31-4)27(14-15-8-6-5-7-9-15)23-17-10-11-20(30-3)24-22(17)25-26-23/h5-13H,14H2,1-4H3,(H,24,25,26)
InChIKeyULASFEMYLJUIRT-UHFFFAOYSA-N
XLogP4.33
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
Casein Kinase II Inhibitor IV
CID 11453158
7-(1H-indol-2-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 135545443
N-(3,5-dimethoxyphenyl)-3-[3-(4-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 11166007
7-(4-fluorophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11189040
3-[3-(1,3-benzodioxol-5-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 11189667
7-(3-(2-(2H-tetrazol-5-yl)ethyl)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11225226
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-1,2,4-triazol-5-yl]-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 11247827
7-m-tolyl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11257798
7-(3-(2H-tetrazol-5-yl)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11293706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 162649447) is N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is COc1ccc2c(N(Cc3ccccc3)c3cc(OC)c(OC)c(OC)c3)n[nH]c2n1.
What is the InChIKey of N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is ULASFEMYLJUIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-28-18-12-16(13-19(29-2)21(18)31-4)27(14-15-8-6-5-7-9-15)23-17-10-11-20(30-3)24-22(17)25-26-23/h5-13H,14H2,1-4H3,(H,24,25,26).
What are the key properties of N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 420.47 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162649447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).