1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide

C51H48BrFN12O6 — CID 158901926

About 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide

1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide (PubChem CID 158901926) has the molecular formula C51H48BrFN12O6 and a molecular weight of 1024.93 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide
• PubChem CID: 158901926
• Molecular Formula: C51H48BrFN12O6
• Molecular Weight: 1024.93 g/mol
• Exact Mass: 1023.30
• IUPAC Name: 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide
• SMILES: C#C[C@]1(O)CCN(C)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5cnn(C)c5)ccc43)c2)C1=O.Cn1cc(-c2ccc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)cn1.[2H]CF
• InChI: InChI=1S/C25H22N6O3.C18H14BrN5O.C7H9NO2.CH3F/c1-29-11-10-25(34,24(29)33)9-8-16-4-3-5-19(12-16)31-21-7-6-17(18-14-27-30(2)15-18)13-20(21)22(28-31)23(26)32;1-23-10-12(9-21-23)11-5-6-16-15(7-11)17(18(20)25)22-24(16)14-4-2-3-13(19)8-14;1-3-7(10)4-5-8(2)6(7)9;1-2/h3-7,12-15,34H,10-11H2,1-2H3,(H2,26,32);2-10H,1H3,(H2,20,25);1,10H,4-5H2,2H3;1H3/t25-;;7-;/m0.0./s1/i;;;1D
• InChIKey: JFOCKAUENMEQBC-QVSUREIGSA-N
• XLogP: 4.56
• TPSA: 238.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.93
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide?

The IUPAC name of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide (CID 158901926) is 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide.

What is the SMILES notation for 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide?

The canonical SMILES for 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide is C#C[C@]1(O)CCN(C)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(-c5cnn(C)c5)ccc43)c2)C1=O.Cn1cc(-c2ccc3c(c2)c(C(N)=O)nn3-c2cccc(Br)c2)cn1.[2H]CF.

What is the InChIKey of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide?

The InChIKey is JFOCKAUENMEQBC-QVSUREIGSA-N. The full InChI is InChI=1S/C25H22N6O3.C18H14BrN5O.C7H9NO2.CH3F/c1-29-11-10-25(34,24(29)33)9-8-16-4-3-5-19(12-16)31-21-7-6-17(18-14-27-30(2)15-18)13-20(21)22(28-31)23(26)32;1-23-10-12(9-21-23)11-5-6-16-15(7-11)17(18(20)25)22-24(16)14-4-2-3-13(19)8-14;1-3-7(10)4-5-8(2)6(7)9;1-2/h3-7,12-15,34H,10-11H2,1-2H3,(H2,26,32);2-10H,1H3,(H2,20,25);1,10H,4-5H2,2H3;1H3/t25-;;7-;/m0.0./s1/i;;;1D.

What are the key properties of 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide?

1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide has a molecular weight of 1024.93 g/mol, XLogP of 4.56, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide;deuterio(fluoro)methane;(3R)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(1-methylpyrazol-4-yl)indazole-3-carboxamide is sourced from PubChem (CID 158901926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).