N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide

C19H22N4O2 — CID 20944065

IUPACN-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)cc1
InChIInChI=1S/C19H22N4O2/c1-5-14-6-8-15(9-7-14)20-16(24)11-23-17(25)10-12(2)18-13(3)21-22(4)19(18)23/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyVDAONFYIICQIPL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.55
Rot. Bonds4

About N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide

N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide (PubChem CID 20944065) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
PubChem CID20944065
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)cc1
InChIInChI=1S/C19H22N4O2/c1-5-14-6-8-15(9-7-14)20-16(24)11-23-17(25)10-12(2)18-13(3)21-22(4)19(18)23/h6-10H,5,11H2,1-4H3,(H,20,24)
InChIKeyVDAONFYIICQIPL-UHFFFAOYSA-N
XLogP2.55
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide (CID 20944065) is N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide is CCc1ccc(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide?
The InChIKey is VDAONFYIICQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-14-6-8-15(9-7-14)20-16(24)11-23-17(25)10-12(2)18-13(3)21-22(4)19(18)23/h6-10H,5,11H2,1-4H3,(H,20,24).
What are the key properties of N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide?
N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide is sourced from PubChem (CID 20944065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).