1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

C17H14BrN5O2 — CID 71707774

IUPAC1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C17H14BrN5O2/c18-11-4-5-12-13(8-11)21-22-16(12)23-9-10(7-15(23)24)17(25)20-14-3-1-2-6-19-14/h1-6,8,10H,7,9H2,(H,21,22)(H,19,20,25)
InChIKeyRZTGUKYETGONRP-UHFFFAOYSA-N
MW400.24 g/mol
LogP2.71
Rot. Bonds3

About 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 71707774) has the molecular formula C17H14BrN5O2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID71707774
Molecular FormulaC17H14BrN5O2
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC Name1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1
InChIInChI=1S/C17H14BrN5O2/c18-11-4-5-12-13(8-11)21-22-16(12)23-9-10(7-15(23)24)17(25)20-14-3-1-2-6-19-14/h1-6,8,10H,7,9H2,(H,21,22)(H,19,20,25)
InChIKeyRZTGUKYETGONRP-UHFFFAOYSA-N
XLogP2.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 71706748
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-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91903482
(3S)-1-(1H-indazol-3-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 99754260
1-(6-bromo-1H-indazol-3-yl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 71707692
1-(6-bromo-1H-indazol-3-yl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71704275
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 97264798
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-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97266285

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 71707774) is 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is O=C(Nc1ccccn1)C1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1.
What is the InChIKey of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RZTGUKYETGONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2/c18-11-4-5-12-13(8-11)21-22-16(12)23-9-10(7-15(23)24)17(25)20-14-3-1-2-6-19-14/h1-6,8,10H,7,9H2,(H,21,22)(H,19,20,25).
What are the key properties of 1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
1-(6-bromo-1H-indazol-3-yl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 400.24 g/mol, XLogP of 2.71, 3 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)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 71707774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).