2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide

C21H24ClN3O2 — CID 10786355

IUPAC2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,18H,3-4,12-14H2,1-2H3
InChIKeyPUWGFVBQSMPKQO-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.48
Rot. Bonds7

About 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide

2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide (PubChem CID 10786355) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide
PubChem CID10786355
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,18H,3-4,12-14H2,1-2H3
InChIKeyPUWGFVBQSMPKQO-UHFFFAOYSA-N
XLogP4.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide (CID 10786355) is 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1c2ncccc2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide?
The InChIKey is PUWGFVBQSMPKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,18H,3-4,12-14H2,1-2H3.
What are the key properties of 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide?
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide has a molecular weight of 385.90 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10786355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).