5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide

C18H16BrN5O3 — CID 123659210

IUPAC5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide
SMILESCN1CC(c2ccnc(-n3nc(C(N)=O)c4cc(Br)ccc43)c2)C(O)C1=O
InChIInChI=1S/C18H16BrN5O3/c1-23-8-12(16(25)18(23)27)9-4-5-21-14(6-9)24-13-3-2-10(19)7-11(13)15(22-24)17(20)26/h2-7,12,16,25H,8H2,1H3,(H2,20,26)
InChIKeyGDYYHBAFMNSIOW-UHFFFAOYSA-N
MW430.26 g/mol
LogP1.20
Rot. Bonds3

About 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide

5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide (PubChem CID 123659210) has the molecular formula C18H16BrN5O3 and a molecular weight of 430.26 g/mol. Its IUPAC name is 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide
PubChem CID123659210
Molecular FormulaC18H16BrN5O3
Molecular Weight430.26 g/mol
Exact Mass429.04
IUPAC Name5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide
SMILESCN1CC(c2ccnc(-n3nc(C(N)=O)c4cc(Br)ccc43)c2)C(O)C1=O
InChIInChI=1S/C18H16BrN5O3/c1-23-8-12(16(25)18(23)27)9-4-5-21-14(6-9)24-13-3-2-10(19)7-11(13)15(22-24)17(20)26/h2-7,12,16,25H,8H2,1H3,(H2,20,26)
InChIKeyGDYYHBAFMNSIOW-UHFFFAOYSA-N
XLogP1.20
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-(4-methyl-2-pyridinyl)indazole-3-carboxylic acid
CID 123645258
5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide
CID 123455454
5-(chloromethyl)-1-(4-methyl-2-pyridinyl)indazole-3-carboxamide;methane
CID 144793484
5-bromo-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;6-fluoro-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;(6S)-6-hydroxy-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,5-dimethyl-6,7-dihydro-4H-indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5-methoxyindazole-3-carboxamide
CID 161489161
1-[4-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]indazole-3-carboxamide
CID 175964559
5-[[butanoyl(methyl)amino]methyl]-1-[4-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
CID 144793035
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
5-bromo-1-phenylindazole-3-carboxylic acid
CID 139220428
1-(1-methylpyrazol-3-yl)indazole-3-carboxamide
CID 141444852
1-cyclopropyl-5-(2-methylpyrimidin-5-yl)indazole-3-carboxamide
CID 162459699
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide (CID 123659210) is 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide is CN1CC(c2ccnc(-n3nc(C(N)=O)c4cc(Br)ccc43)c2)C(O)C1=O.
What is the InChIKey of 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide?
The InChIKey is GDYYHBAFMNSIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O3/c1-23-8-12(16(25)18(23)27)9-4-5-21-14(6-9)24-13-3-2-10(19)7-11(13)15(22-24)17(20)26/h2-7,12,16,25H,8H2,1H3,(H2,20,26).
What are the key properties of 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide?
5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-(4-hydroxy-1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 123659210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).