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

C21H17N5O — CID 118696350

IUPAC(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cnc5ccnn5c4)cc32)[nH]1
InChIInChI=1S/C21H17N5O/c1-12-7-13(2)24-19(12)9-17-16-8-14(3-4-18(16)25-21(17)27)15-10-22-20-5-6-23-26(20)11-15/h3-11,24H,1-2H3,(H,25,27)/b17-9-
InChIKeyFIZXEUABBVYFKH-MFOYZWKCSA-N
MW355.40 g/mol
LogP3.83
Rot. Bonds2

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

(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one (PubChem CID 118696350) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one
PubChem CID118696350
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cnc5ccnn5c4)cc32)[nH]1
InChIInChI=1S/C21H17N5O/c1-12-7-13(2)24-19(12)9-17-16-8-14(3-4-18(16)25-21(17)27)15-10-22-20-5-6-23-26(20)11-15/h3-11,24H,1-2H3,(H,25,27)/b17-9-
InChIKeyFIZXEUABBVYFKH-MFOYZWKCSA-N
XLogP3.83
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-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 (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one (CID 118696350) is (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one is Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cnc5ccnn5c4)cc32)[nH]1.
What is the InChIKey of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one?
The InChIKey is FIZXEUABBVYFKH-MFOYZWKCSA-N. The full InChI is InChI=1S/C21H17N5O/c1-12-7-13(2)24-19(12)9-17-16-8-14(3-4-18(16)25-21(17)27)15-10-22-20-5-6-23-26(20)11-15/h3-11,24H,1-2H3,(H,25,27)/b17-9-.
What are the key properties of (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one?
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one has a molecular weight of 355.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-2-one is sourced from PubChem (CID 118696350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).