3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile

C22H20FN5O — CID 130345325

IUPAC3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
SMILESCc1ccc2[nH]ncc2c1-c1ccc2c(c1)CCN2C(=O)C1(F)CCN(C#N)C1
InChIInChI=1S/C22H20FN5O/c1-14-2-4-18-17(11-25-26-18)20(14)16-3-5-19-15(10-16)6-8-28(19)21(29)22(23)7-9-27(12-22)13-24/h2-5,10-11H,6-9,12H2,1H3,(H,25,26)
InChIKeyXMPZDQREWRQHTI-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.32
Rot. Bonds2

About 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile

3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile (PubChem CID 130345325) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
PubChem CID130345325
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
SMILESCc1ccc2[nH]ncc2c1-c1ccc2c(c1)CCN2C(=O)C1(F)CCN(C#N)C1
InChIInChI=1S/C22H20FN5O/c1-14-2-4-18-17(11-25-26-18)20(14)16-3-5-19-15(10-16)6-8-28(19)21(29)22(23)7-9-27(12-22)13-24/h2-5,10-11H,6-9,12H2,1H3,(H,25,26)
InChIKeyXMPZDQREWRQHTI-UHFFFAOYSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile 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 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
The IUPAC name of 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile (CID 130345325) is 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile is Cc1ccc2[nH]ncc2c1-c1ccc2c(c1)CCN2C(=O)C1(F)CCN(C#N)C1.
What is the InChIKey of 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
The InChIKey is XMPZDQREWRQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-2-4-18-17(11-25-26-18)20(14)16-3-5-19-15(10-16)6-8-28(19)21(29)22(23)7-9-27(12-22)13-24/h2-5,10-11H,6-9,12H2,1H3,(H,25,26).
What are the key properties of 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile has a molecular weight of 389.43 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[5-(5-methyl-1H-indazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile is sourced from PubChem (CID 130345325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).