N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C19H22N4O4 — CID 31520021

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC
InChIInChI=1S/C19H22N4O4/c1-11-14-9-13(10-20-19(14)23(2)22-11)21-17(24)8-12-6-15(25-3)18(27-5)16(7-12)26-4/h6-7,9-10H,8H2,1-5H3,(H,21,24)
InChIKeyABQCPRPVVYHSAS-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.48
Rot. Bonds6

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 31520021) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID31520021
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC
InChIInChI=1S/C19H22N4O4/c1-11-14-9-13(10-20-19(14)23(2)22-11)21-17(24)8-12-6-15(25-3)18(27-5)16(7-12)26-4/h6-7,9-10H,8H2,1-5H3,(H,21,24)
InChIKeyABQCPRPVVYHSAS-UHFFFAOYSA-N
XLogP2.48
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 31520021) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ABQCPRPVVYHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-14-9-13(10-20-19(14)23(2)22-11)21-17(24)8-12-6-15(25-3)18(27-5)16(7-12)26-4/h6-7,9-10H,8H2,1-5H3,(H,21,24).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 31520021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).