4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C21H25N5O — CID 122570491

IUPAC4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESNc1n[nH]c2ccc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)cc12
InChIInChI=1S/C21H25N5O/c22-20-18-14-17(8-9-19(18)24-25-20)15-4-6-16(7-5-15)21(27)23-10-3-13-26-11-1-2-12-26/h4-9,14H,1-3,10-13H2,(H,23,27)(H3,22,24,25)
InChIKeyQCBGEMQWEWXVTH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.03
Rot. Bonds6

About 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 122570491) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID122570491
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESNc1n[nH]c2ccc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)cc12
InChIInChI=1S/C21H25N5O/c22-20-18-14-17(8-9-19(18)24-25-20)15-4-6-16(7-5-15)21(27)23-10-3-13-26-11-1-2-12-26/h4-9,14H,1-3,10-13H2,(H,23,27)(H3,22,24,25)
InChIKeyQCBGEMQWEWXVTH-UHFFFAOYSA-N
XLogP3.03
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 122570491) is 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is Nc1n[nH]c2ccc(-c3ccc(C(=O)NCCCN4CCCC4)cc3)cc12.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is QCBGEMQWEWXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c22-20-18-14-17(8-9-19(18)24-25-20)15-4-6-16(7-5-15)21(27)23-10-3-13-26-11-1-2-12-26/h4-9,14H,1-3,10-13H2,(H,23,27)(H3,22,24,25).
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 122570491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).