1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide

C14H12BrN7O2 — CID 71706748

IUPAC1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C14H12BrN7O2/c15-8-1-2-9-10(4-8)19-20-12(9)22-5-7(3-11(22)23)13(24)18-14-16-6-17-21-14/h1-2,4,6-7H,3,5H2,(H,19,20)(H2,16,17,18,21,24)
InChIKeyBGTGTHBFXQOBNA-UHFFFAOYSA-N
MW390.20 g/mol
LogP1.44
Rot. Bonds3

About 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide

1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 71706748) has the molecular formula C14H12BrN7O2 and a molecular weight of 390.20 g/mol. Its IUPAC name is 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID71706748
Molecular FormulaC14H12BrN7O2
Molecular Weight390.20 g/mol
Exact Mass389.02
IUPAC Name1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C14H12BrN7O2/c15-8-1-2-9-10(4-8)19-20-12(9)22-5-7(3-11(22)23)13(24)18-14-16-6-17-21-14/h1-2,4,6-7H,3,5H2,(H,19,20)(H2,16,17,18,21,24)
InChIKeyBGTGTHBFXQOBNA-UHFFFAOYSA-N
XLogP1.44
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 97426876
1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 71827648
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 71707774
1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 71700619
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97263418
1-(6-bromo-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 71707692
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91903482
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97266285
1-(6-bromo-1H-indazol-3-yl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71704275
1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 71708610
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 97264798
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 126417916

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide (CID 71706748) is 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1ncn[nH]1)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1.
What is the InChIKey of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is BGTGTHBFXQOBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN7O2/c15-8-1-2-9-10(4-8)19-20-12(9)22-5-7(3-11(22)23)13(24)18-14-16-6-17-21-14/h1-2,4,6-7H,3,5H2,(H,19,20)(H2,16,17,18,21,24).
What are the key properties of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide?
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 390.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71706748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).