(E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one

C28H29N3O — CID 158341711

IUPAC(E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one
SMILESO=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cccnc21
InChIInChI=1S/C28H29N3O/c32-26(17-16-23-11-9-18-29-22-23)15-7-2-1-3-8-20-31-27(24-12-5-4-6-13-24)21-25-14-10-19-30-28(25)31/h4-6,9-14,16-19,21-22H,1-3,7-8,15,20H2/b17-16+
InChIKeyJVLVCAFCJNBMDC-WUKNDPDISA-N
MW423.56 g/mol
LogP6.72
Rot. Bonds11

About (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one

(E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one (PubChem CID 158341711) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one.

Molecular Properties

Compound Name(E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one
PubChem CID158341711
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name(E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one
SMILESO=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cccnc21
InChIInChI=1S/C28H29N3O/c32-26(17-16-23-11-9-18-29-22-23)15-7-2-1-3-8-20-31-27(24-12-5-4-6-13-24)21-25-14-10-19-30-28(25)31/h4-6,9-14,16-19,21-22H,1-3,7-8,15,20H2/b17-16+
InChIKeyJVLVCAFCJNBMDC-WUKNDPDISA-N
XLogP6.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one?
The IUPAC name of (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one (CID 158341711) is (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one.
What is the SMILES notation for (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one?
The canonical SMILES for (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one is O=C(/C=C/c1cccnc1)CCCCCCCn1c(-c2ccccc2)cc2cccnc21.
What is the InChIKey of (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one?
The InChIKey is JVLVCAFCJNBMDC-WUKNDPDISA-N. The full InChI is InChI=1S/C28H29N3O/c32-26(17-16-23-11-9-18-29-22-23)15-7-2-1-3-8-20-31-27(24-12-5-4-6-13-24)21-25-14-10-19-30-28(25)31/h4-6,9-14,16-19,21-22H,1-3,7-8,15,20H2/b17-16+.
What are the key properties of (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one?
(E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one has a molecular weight of 423.56 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)-1-pyridin-3-yldec-1-en-3-one is sourced from PubChem (CID 158341711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).