4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide

C24H29ClN4O — CID 20877544

IUPAC4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCN1CCCC1
InChIInChI=1S/C24H29ClN4O/c25-20-11-12-22-21(18-20)24(19-8-2-1-3-9-19)27-29(22)17-6-10-23(30)26-13-7-16-28-14-4-5-15-28/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,26,30)
InChIKeyUDMYWJXGUKIURL-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.74
Rot. Bonds9

About 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide

4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 20877544) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID20877544
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCN1CCCC1
InChIInChI=1S/C24H29ClN4O/c25-20-11-12-22-21(18-20)24(19-8-2-1-3-9-19)27-29(22)17-6-10-23(30)26-13-7-16-28-14-4-5-15-28/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,26,30)
InChIKeyUDMYWJXGUKIURL-UHFFFAOYSA-N
XLogP4.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide 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 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 20877544) is 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide is O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCCN1CCCC1.
What is the InChIKey of 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is UDMYWJXGUKIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c25-20-11-12-22-21(18-20)24(19-8-2-1-3-9-19)27-29(22)17-6-10-23(30)26-13-7-16-28-14-4-5-15-28/h1-3,8-9,11-12,18H,4-7,10,13-17H2,(H,26,30).
What are the key properties of 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 424.98 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-phenylindazol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 20877544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).