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

C26H31N3O4 — CID 121335284

IUPAC6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(OC(C)C)c2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C26H31N3O4/c1-5-6-9-29-16-22(21-14-18(4)27-24(21)26(29)31)19-7-8-20(23(15-19)33-17(2)3)25(30)28-10-12-32-13-11-28/h5-8,14-17,27H,9-13H2,1-4H3/b6-5+
InChIKeySOPWRLFWKSWOGG-AATRIKPKSA-N
MW449.55 g/mol
LogP4.14
Rot. Bonds6

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

6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121335284) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121335284
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(OC(C)C)c2)c2cc(C)[nH]c2c1=O
InChIInChI=1S/C26H31N3O4/c1-5-6-9-29-16-22(21-14-18(4)27-24(21)26(29)31)19-7-8-20(23(15-19)33-17(2)3)25(30)28-10-12-32-13-11-28/h5-8,14-17,27H,9-13H2,1-4H3/b6-5+
InChIKeySOPWRLFWKSWOGG-AATRIKPKSA-N
XLogP4.14
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.14
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-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121335284) is 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(OC(C)C)c2)c2cc(C)[nH]c2c1=O.
What is the InChIKey of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is SOPWRLFWKSWOGG-AATRIKPKSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-5-6-9-29-16-22(21-14-18(4)27-24(21)26(29)31)19-7-8-20(23(15-19)33-17(2)3)25(30)28-10-12-32-13-11-28/h5-8,14-17,27H,9-13H2,1-4H3/b6-5+.
What are the key properties of 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one?
6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 449.55 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-carbonyl)-3-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121335284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).