N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H18N6O2 — CID 71709695

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C17H18N6O2/c24-15-7-11(17(25)19-6-5-12-8-18-10-20-12)9-23(15)16-13-3-1-2-4-14(13)21-22-16/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,25)(H,21,22)
InChIKeyWWPHFXOMYQJGGF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.00
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71709695) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71709695
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C17H18N6O2/c24-15-7-11(17(25)19-6-5-12-8-18-10-20-12)9-23(15)16-13-3-1-2-4-14(13)21-22-16/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,25)(H,21,22)
InChIKeyWWPHFXOMYQJGGF-UHFFFAOYSA-N
XLogP1.00
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 71709695) is N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WWPHFXOMYQJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-15-7-11(17(25)19-6-5-12-8-18-10-20-12)9-23(15)16-13-3-1-2-4-14(13)21-22-16/h1-4,8,10-11H,5-7,9H2,(H,18,20)(H,19,25)(H,21,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71709695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).