N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide

C20H20N4O2 — CID 125442494

IUPACN-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3ccc4cn[nH]c4c3)c2)C1
InChIInChI=1S/C20H20N4O2/c1-13(25)22-18-7-8-24(12-18)20(26)16-4-2-3-14(9-16)15-5-6-17-11-21-23-19(17)10-15/h2-6,9-11,18H,7-8,12H2,1H3,(H,21,23)(H,22,25)/t18-/m0/s1
InChIKeyGFNAXWZBMDHUQA-SFHVURJKSA-N
MW348.41 g/mol
LogP2.58
Rot. Bonds3

About N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 125442494) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID125442494
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3ccc4cn[nH]c4c3)c2)C1
InChIInChI=1S/C20H20N4O2/c1-13(25)22-18-7-8-24(12-18)20(26)16-4-2-3-14(9-16)15-5-6-17-11-21-23-19(17)10-15/h2-6,9-11,18H,7-8,12H2,1H3,(H,21,23)(H,22,25)/t18-/m0/s1
InChIKeyGFNAXWZBMDHUQA-SFHVURJKSA-N
XLogP2.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide (CID 125442494) is N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3ccc4cn[nH]c4c3)c2)C1.
What is the InChIKey of N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GFNAXWZBMDHUQA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(25)22-18-7-8-24(12-18)20(26)16-4-2-3-14(9-16)15-5-6-17-11-21-23-19(17)10-15/h2-6,9-11,18H,7-8,12H2,1H3,(H,21,23)(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(1H-indazol-6-yl)benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125442494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).