(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H13BrN6O2 — CID 97426876

IUPAC(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C15H13BrN6O2/c16-9-1-2-10-11(6-9)20-21-13(10)22-7-8(5-12(22)23)14(24)19-15-17-3-4-18-15/h1-4,6,8H,5,7H2,(H,20,21)(H2,17,18,19,24)/t8-/m1/s1
InChIKeyOKOXWECAGGOHSY-MRVPVSSYSA-N
MW389.21 g/mol
LogP2.04
Rot. Bonds3

About (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97426876) has the molecular formula C15H13BrN6O2 and a molecular weight of 389.21 g/mol. Its IUPAC name is (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97426876
Molecular FormulaC15H13BrN6O2
Molecular Weight389.21 g/mol
Exact Mass388.03
IUPAC Name(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C15H13BrN6O2/c16-9-1-2-10-11(6-9)20-21-13(10)22-7-8(5-12(22)23)14(24)19-15-17-3-4-18-15/h1-4,6,8H,5,7H2,(H,20,21)(H2,17,18,19,24)/t8-/m1/s1
InChIKeyOKOXWECAGGOHSY-MRVPVSSYSA-N
XLogP2.04
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 71706748
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
(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)-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91903482
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 (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 97426876) is (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ncc[nH]1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1.
What is the InChIKey of (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OKOXWECAGGOHSY-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13BrN6O2/c16-9-1-2-10-11(6-9)20-21-13(10)22-7-8(5-12(22)23)14(24)19-15-17-3-4-18-15/h1-4,6,8H,5,7H2,(H,20,21)(H2,17,18,19,24)/t8-/m1/s1.
What are the key properties of (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-bromo-1H-indazol-3-yl)-N-(1H-imidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97426876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).