(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one

C22H18N4O — CID 118696374

IUPAC(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4cnc5ccccn45)ccc32)[nH]1
InChIInChI=1S/C22H18N4O/c1-13-9-14(2)24-18(13)11-17-16-7-6-15(10-19(16)25-22(17)27)20-12-23-21-5-3-4-8-26(20)21/h3-12,24H,1-2H3,(H,25,27)/b17-11-
InChIKeyRMVFIGGODORECN-BOPFTXTBSA-N
MW354.41 g/mol
LogP4.44
Rot. Bonds2

About (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one

(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one (PubChem CID 118696374) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one
PubChem CID118696374
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4cnc5ccccn45)ccc32)[nH]1
InChIInChI=1S/C22H18N4O/c1-13-9-14(2)24-18(13)11-17-16-7-6-15(10-19(16)25-22(17)27)20-12-23-21-5-3-4-8-26(20)21/h3-12,24H,1-2H3,(H,25,27)/b17-11-
InChIKeyRMVFIGGODORECN-BOPFTXTBSA-N
XLogP4.44
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
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)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one (CID 118696374) is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one is Cc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4cnc5ccccn45)ccc32)[nH]1.
What is the InChIKey of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one?
The InChIKey is RMVFIGGODORECN-BOPFTXTBSA-N. The full InChI is InChI=1S/C22H18N4O/c1-13-9-14(2)24-18(13)11-17-16-7-6-15(10-19(16)25-22(17)27)20-12-23-21-5-3-4-8-26(20)21/h3-12,24H,1-2H3,(H,25,27)/b17-11-.
What are the key properties of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one?
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-6-imidazo[1,2-a]pyridin-3-yl-1H-indol-2-one is sourced from PubChem (CID 118696374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).