3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C19H22N4O — CID 170694015

IUPAC3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCCC1C(=O)Nc2nccc(-c3cccc(N4CCNCC4)c3)c21
InChIInChI=1S/C19H22N4O/c1-2-15-17-16(6-7-21-18(17)22-19(15)24)13-4-3-5-14(12-13)23-10-8-20-9-11-23/h3-7,12,15,20H,2,8-11H2,1H3,(H,21,22,24)
InChIKeyOABXMQXKTBNGJK-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.60
Rot. Bonds3

About 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 170694015) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID170694015
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCCC1C(=O)Nc2nccc(-c3cccc(N4CCNCC4)c3)c21
InChIInChI=1S/C19H22N4O/c1-2-15-17-16(6-7-21-18(17)22-19(15)24)13-4-3-5-14(12-13)23-10-8-20-9-11-23/h3-7,12,15,20H,2,8-11H2,1H3,(H,21,22,24)
InChIKeyOABXMQXKTBNGJK-UHFFFAOYSA-N
XLogP2.60
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 170694015) is 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is CCC1C(=O)Nc2nccc(-c3cccc(N4CCNCC4)c3)c21.
What is the InChIKey of 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is OABXMQXKTBNGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-15-17-16(6-7-21-18(17)22-19(15)24)13-4-3-5-14(12-13)23-10-8-20-9-11-23/h3-7,12,15,20H,2,8-11H2,1H3,(H,21,22,24).
What are the key properties of 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-piperazin-1-ylphenyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 170694015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).