6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

C21H22N4O3 — CID 155526975

IUPAC6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2cncc(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H22N4O3/c1-2-3-6-25-14-18(17-4-5-23-19(17)21(25)27)15-11-16(13-22-12-15)20(26)24-7-9-28-10-8-24/h2,4-5,11-14,23H,1,3,6-10H2
InChIKeyQAORWPLEPWLSPU-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.44
Rot. Bonds5

About 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one

6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 155526975) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID155526975
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2cncc(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H22N4O3/c1-2-3-6-25-14-18(17-4-5-23-19(17)21(25)27)15-11-16(13-22-12-15)20(26)24-7-9-28-10-8-24/h2,4-5,11-14,23H,1,3,6-10H2
InChIKeyQAORWPLEPWLSPU-UHFFFAOYSA-N
XLogP2.44
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 155526975) is 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C=CCCn1cc(-c2cncc(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is QAORWPLEPWLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-3-6-25-14-18(17-4-5-23-19(17)21(25)27)15-11-16(13-22-12-15)20(26)24-7-9-28-10-8-24/h2,4-5,11-14,23H,1,3,6-10H2.
What are the key properties of 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 378.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-4-[5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155526975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).