(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide

C23H16N4O2 — CID 70128125

IUPAC(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
SMILESO=C1Nc2ccc(C(=O)Nc3ccccc3)cc2/C1=C\c1c[nH]c2ncccc12
InChIInChI=1S/C23H16N4O2/c28-22(26-16-5-2-1-3-6-16)14-8-9-20-18(11-14)19(23(29)27-20)12-15-13-25-21-17(15)7-4-10-24-21/h1-13H,(H,24,25)(H,26,28)(H,27,29)/b19-12+
InChIKeyFYAARPYVYLPZJR-XDHOZWIPSA-N
MW380.41 g/mol
LogP4.31
Rot. Bonds3

About (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide

(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide (PubChem CID 70128125) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
PubChem CID70128125
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
SMILESO=C1Nc2ccc(C(=O)Nc3ccccc3)cc2/C1=C\c1c[nH]c2ncccc12
InChIInChI=1S/C23H16N4O2/c28-22(26-16-5-2-1-3-6-16)14-8-9-20-18(11-14)19(23(29)27-20)12-15-13-25-21-17(15)7-4-10-24-21/h1-13H,(H,24,25)(H,26,28)(H,27,29)/b19-12+
InChIKeyFYAARPYVYLPZJR-XDHOZWIPSA-N
XLogP4.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide?
The IUPAC name of (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide (CID 70128125) is (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide.
What is the SMILES notation for (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide?
The canonical SMILES for (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide is O=C1Nc2ccc(C(=O)Nc3ccccc3)cc2/C1=C\c1c[nH]c2ncccc12.
What is the InChIKey of (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide?
The InChIKey is FYAARPYVYLPZJR-XDHOZWIPSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-22(26-16-5-2-1-3-6-16)14-8-9-20-18(11-14)19(23(29)27-20)12-15-13-25-21-17(15)7-4-10-24-21/h1-13H,(H,24,25)(H,26,28)(H,27,29)/b19-12+.
What are the key properties of (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide?
(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide is sourced from PubChem (CID 70128125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).