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

C18H16BrN5O3 — CID 71700619

IUPAC1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cn1
InChIInChI=1S/C18H16BrN5O3/c1-27-15-5-3-12(8-20-15)21-18(26)10-6-16(25)24(9-10)17-13-4-2-11(19)7-14(13)22-23-17/h2-5,7-8,10H,6,9H2,1H3,(H,21,26)(H,22,23)
InChIKeySSYZJSLEQIRANP-UHFFFAOYSA-N
MW430.26 g/mol
LogP2.72
Rot. Bonds4

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

1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71700619) has the molecular formula C18H16BrN5O3 and a molecular weight of 430.26 g/mol. Its IUPAC name is 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71700619
Molecular FormulaC18H16BrN5O3
Molecular Weight430.26 g/mol
Exact Mass429.04
IUPAC Name1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cn1
InChIInChI=1S/C18H16BrN5O3/c1-27-15-5-3-12(8-20-15)21-18(26)10-6-16(25)24(9-10)17-13-4-2-11(19)7-14(13)22-23-17/h2-5,7-8,10H,6,9H2,1H3,(H,21,26)(H,22,23)
InChIKeySSYZJSLEQIRANP-UHFFFAOYSA-N
XLogP2.72
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97263418
(3R)-1-(1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97265001
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
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-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 71708610
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
(3R)-1-(6-bromo-1H-indazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 97264798

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 71700619) is 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cn1.
What is the InChIKey of 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SSYZJSLEQIRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O3/c1-27-15-5-3-12(8-20-15)21-18(26)10-6-16(25)24(9-10)17-13-4-2-11(19)7-14(13)22-23-17/h2-5,7-8,10H,6,9H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71700619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).