[(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea

C19H15N5O2 — CID 11588244

IUPAC[(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccnc3)c[nH]1)C(=O)N2
InChIInChI=1S/C19H15N5O2/c20-19(26)23-13-3-4-17-15(7-13)16(18(25)24-17)8-14-6-12(10-22-14)11-2-1-5-21-9-11/h1-10,22H,(H,24,25)(H3,20,23,26)/b16-8-
InChIKeyXROQQHOCADBSBW-PXNMLYILSA-N
MW345.36 g/mol
LogP3.06
Rot. Bonds3

About [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea

[(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea (PubChem CID 11588244) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea.

Molecular Properties

Compound Name[(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea
PubChem CID11588244
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name[(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccnc3)c[nH]1)C(=O)N2
InChIInChI=1S/C19H15N5O2/c20-19(26)23-13-3-4-17-15(7-13)16(18(25)24-17)8-14-6-12(10-22-14)11-2-1-5-21-9-11/h1-10,22H,(H,24,25)(H3,20,23,26)/b16-8-
InChIKeyXROQQHOCADBSBW-PXNMLYILSA-N
XLogP3.06
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
The IUPAC name of [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea (CID 11588244) is [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea.
What is the SMILES notation for [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
The canonical SMILES for [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea is NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccnc3)c[nH]1)C(=O)N2.
What is the InChIKey of [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
The InChIKey is XROQQHOCADBSBW-PXNMLYILSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-19(26)23-13-3-4-17-15(7-13)16(18(25)24-17)8-14-6-12(10-22-14)11-2-1-5-21-9-11/h1-10,22H,(H,24,25)(H3,20,23,26)/b16-8-.
What are the key properties of [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea?
[(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea has a molecular weight of 345.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-oxo-3-[(4-pyridin-3-yl-1H-pyrrol-2-yl)methylidene]-1H-indol-5-yl]urea is sourced from PubChem (CID 11588244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).