3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide

C21H23N5O2 — CID 125442306

IUPAC3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1C[C@@H](NC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)CC1=O
InChIInChI=1S/C21H23N5O2/c1-2-8-26-12-16(11-19(26)27)23-21(28)15-5-3-4-13(9-15)14-6-7-18-17(10-14)20(22)25-24-18/h3-7,9-10,16H,2,8,11-12H2,1H3,(H,23,28)(H3,22,24,25)/t16-/m0/s1
InChIKeyGSGPQKWHIYMHBS-INIZCTEOSA-N
MW377.45 g/mol
LogP2.55
Rot. Bonds5

About 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide

3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide (PubChem CID 125442306) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
PubChem CID125442306
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1C[C@@H](NC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)CC1=O
InChIInChI=1S/C21H23N5O2/c1-2-8-26-12-16(11-19(26)27)23-21(28)15-5-3-4-13(9-15)14-6-7-18-17(10-14)20(22)25-24-18/h3-7,9-10,16H,2,8,11-12H2,1H3,(H,23,28)(H3,22,24,25)/t16-/m0/s1
InChIKeyGSGPQKWHIYMHBS-INIZCTEOSA-N
XLogP2.55
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide (CID 125442306) is 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide is CCCN1C[C@@H](NC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)CC1=O.
What is the InChIKey of 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
The InChIKey is GSGPQKWHIYMHBS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-8-26-12-16(11-19(26)27)23-21(28)15-5-3-4-13(9-15)14-6-7-18-17(10-14)20(22)25-24-18/h3-7,9-10,16H,2,8,11-12H2,1H3,(H,23,28)(H3,22,24,25)/t16-/m0/s1.
What are the key properties of 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide?
3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-indazol-5-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125442306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).