4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide

C22H27N5O — CID 50973924

IUPAC4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
SMILESCN(C)C1CCN(Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1
InChIInChI=1S/C22H27N5O/c1-25(2)20-10-11-27(15-20)14-16-4-6-17(7-5-16)22(28)24-19-8-9-21-18(12-19)13-23-26(21)3/h4-9,12-13,20H,10-11,14-15H2,1-3H3,(H,24,28)
InChIKeyUUFJWNMWUYMRPO-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.96
Rot. Bonds5

About 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide

4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide (PubChem CID 50973924) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
PubChem CID50973924
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide
SMILESCN(C)C1CCN(Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1
InChIInChI=1S/C22H27N5O/c1-25(2)20-10-11-27(15-20)14-16-4-6-17(7-5-16)22(28)24-19-8-9-21-18(12-19)13-23-26(21)3/h4-9,12-13,20H,10-11,14-15H2,1-3H3,(H,24,28)
InChIKeyUUFJWNMWUYMRPO-UHFFFAOYSA-N
XLogP2.96
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide 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-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
The IUPAC name of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide (CID 50973924) is 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide.
What is the SMILES notation for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
The canonical SMILES for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide is CN(C)C1CCN(Cc2ccc(C(=O)Nc3ccc4c(cnn4C)c3)cc2)C1.
What is the InChIKey of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
The InChIKey is UUFJWNMWUYMRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-25(2)20-10-11-27(15-20)14-16-4-6-17(7-5-16)22(28)24-19-8-9-21-18(12-19)13-23-26(21)3/h4-9,12-13,20H,10-11,14-15H2,1-3H3,(H,24,28).
What are the key properties of 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide?
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-(1-methylindazol-5-yl)benzamide is sourced from PubChem (CID 50973924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).