1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C16H19BrN4O3 — CID 71708610

IUPAC1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C16H19BrN4O3/c1-24-6-2-5-18-16(23)10-7-14(22)21(9-10)15-12-4-3-11(17)8-13(12)19-20-15/h3-4,8,10H,2,5-7,9H2,1H3,(H,18,23)(H,19,20)
InChIKeyZQAJFZHNONDAOQ-UHFFFAOYSA-N
MW395.26 g/mol
LogP1.83
Rot. Bonds6

About 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71708610) has the molecular formula C16H19BrN4O3 and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71708610
Molecular FormulaC16H19BrN4O3
Molecular Weight395.26 g/mol
Exact Mass394.06
IUPAC Name1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C16H19BrN4O3/c1-24-6-2-5-18-16(23)10-7-14(22)21(9-10)15-12-4-3-11(17)8-13(12)19-20-15/h3-4,8,10H,2,5-7,9H2,1H3,(H,18,23)(H,19,20)
InChIKeyZQAJFZHNONDAOQ-UHFFFAOYSA-N
XLogP1.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 71707692
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113188043
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)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 71706748
(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
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 126417916
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 71707774
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91903482

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 71708610) is 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCNC(=O)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1.
What is the InChIKey of 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZQAJFZHNONDAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3/c1-24-6-2-5-18-16(23)10-7-14(22)21(9-10)15-12-4-3-11(17)8-13(12)19-20-15/h3-4,8,10H,2,5-7,9H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indazol-3-yl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71708610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).