N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide

C27H24N4O3 — CID 57079552

IUPACN-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide
SMILESCC(=O)N(CC=C=CC=c1c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O)c1ccccc1
InChIInChI=1S/C27H24N4O3/c1-19-23(17-11-6-12-18-30(20(2)32)21-13-7-4-8-14-21)26(33)29(3)25-24(19)27(34)31(28-25)22-15-9-5-10-16-22/h4-5,7-17H,18H2,1-3H3
InChIKeyROUXAYISVYPSCR-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.43
Rot. Bonds5

About N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide

N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide (PubChem CID 57079552) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide
PubChem CID57079552
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide
SMILESCC(=O)N(CC=C=CC=c1c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O)c1ccccc1
InChIInChI=1S/C27H24N4O3/c1-19-23(17-11-6-12-18-30(20(2)32)21-13-7-4-8-14-21)26(33)29(3)25-24(19)27(34)31(28-25)22-15-9-5-10-16-22/h4-5,7-17H,18H2,1-3H3
InChIKeyROUXAYISVYPSCR-UHFFFAOYSA-N
XLogP2.43
TPSA74.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide?
The IUPAC name of N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide (CID 57079552) is N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide.
What is the SMILES notation for N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide?
The canonical SMILES for N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide is CC(=O)N(CC=C=CC=c1c(C)c2c(n(C)c1=O)=NN(c1ccccc1)C2=O)c1ccccc1.
What is the InChIKey of N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide?
The InChIKey is ROUXAYISVYPSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-19-23(17-11-6-12-18-30(20(2)32)21-13-7-4-8-14-21)26(33)29(3)25-24(19)27(34)31(28-25)22-15-9-5-10-16-22/h4-5,7-17H,18H2,1-3H3.
What are the key properties of N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide?
N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide has a molecular weight of 452.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,7-dimethyl-3,6-dioxo-2-phenylpyrazolo[3,4-b]pyridin-5-ylidene)penta-2,3-dienyl]-N-phenylacetamide is sourced from PubChem (CID 57079552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).