5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

C21H20N6O — CID 171662566

IUPAC5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3cncc(NC4CCCC4)n3)cc2C1=Cc1cnc[nH]1
InChIInChI=1S/C21H20N6O/c28-21-17(8-15-9-23-12-24-15)16-7-13(5-6-18(16)27-21)19-10-22-11-20(26-19)25-14-3-1-2-4-14/h5-12,14H,1-4H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyOXZZVEUSYNOCJG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.71
Rot. Bonds4

About 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (PubChem CID 171662566) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
PubChem CID171662566
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(-c3cncc(NC4CCCC4)n3)cc2C1=Cc1cnc[nH]1
InChIInChI=1S/C21H20N6O/c28-21-17(8-15-9-23-12-24-15)16-7-13(5-6-18(16)27-21)19-10-22-11-20(26-19)25-14-3-1-2-4-14/h5-12,14H,1-4H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyOXZZVEUSYNOCJG-UHFFFAOYSA-N
XLogP3.71
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 11195503
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide
CID 121276974
(3Z)-3-(1H-imidazol-5-ylmethylidene)-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 177373730
(3Z)-5-(2-chloroacetyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 53310126
(E)-3-[3-[6-(cyclohexylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 143631250
N-cyclopentyl-4-(1H-imidazol-5-yl)aniline
CID 43722405
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
CID 138586342
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
5-[(5-fluoro-2-methoxy-3-pyridinyl)methylamino]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 175592086
(3Z)-5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;hydrochloride
CID 127036917
4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide
CID 177373769

Frequently Asked Questions

What is the IUPAC name of 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (CID 171662566) is 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(-c3cncc(NC4CCCC4)n3)cc2C1=Cc1cnc[nH]1.
What is the InChIKey of 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The InChIKey is OXZZVEUSYNOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21-17(8-15-9-23-12-24-15)16-7-13(5-6-18(16)27-21)19-10-22-11-20(26-19)25-14-3-1-2-4-14/h5-12,14H,1-4H2,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one has a molecular weight of 372.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 171662566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).