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

C22H24N4O3 — CID 155527380

IUPAC6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2cnc(C)c(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O
InChIInChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
InChIKeyKQBSVASSAQIRTH-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.75
Rot. Bonds5

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

6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 155527380) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID155527380
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC=CCCn1cc(-c2cnc(C)c(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O
InChIInChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
InChIKeyKQBSVASSAQIRTH-UHFFFAOYSA-N
XLogP2.75
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.75
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-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 155527380) is 6-but-3-enyl-4-[6-methyl-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-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C=CCCn1cc(-c2cnc(C)c(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KQBSVASSAQIRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3.
What are the key properties of 6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-but-3-enyl-4-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 392.46 g/mol, XLogP of 2.75, 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-[6-methyl-5-(morpholine-4-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155527380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).