2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide

C34H39BrN8O3 — CID 145266101

About 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide (PubChem CID 145266101) has the molecular formula C34H39BrN8O3 and a molecular weight of 687.64 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide
• PubChem CID: 145266101
• Molecular Formula: C34H39BrN8O3
• Molecular Weight: 687.64 g/mol
• Exact Mass: 686.23
• IUPAC Name: 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide
• SMILES: CC(=O)c1nn(CC(=O)N2C(C)CC3(CN4CCCC4)CC23)c2ccc(-c3cnc(C)nc3)cc12.Cc1ccc(Br)nc1NC=O
• InChI: InChI=1S/C27H32N6O2.C7H7BrN2O/c1-17-11-27(16-31-8-4-5-9-31)12-24(27)33(17)25(35)15-32-23-7-6-20(21-13-28-19(3)29-14-21)10-22(23)26(30-32)18(2)34;1-5-2-3-6(8)10-7(5)9-4-11/h6-7,10,13-14,17,24H,4-5,8-9,11-12,15-16H2,1-3H3;2-4H,1H3,(H,9,10,11)
• InChIKey: AWFQCEQCNMXKOQ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 126.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.64
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide?

The IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide (CID 145266101) is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide.

What is the SMILES notation for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide?

The canonical SMILES for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide is CC(=O)c1nn(CC(=O)N2C(C)CC3(CN4CCCC4)CC23)c2ccc(-c3cnc(C)nc3)cc12.Cc1ccc(Br)nc1NC=O.

What is the InChIKey of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide?

The InChIKey is AWFQCEQCNMXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2.C7H7BrN2O/c1-17-11-27(16-31-8-4-5-9-31)12-24(27)33(17)25(35)15-32-23-7-6-20(21-13-28-19(3)29-14-21)10-22(23)26(30-32)18(2)34;1-5-2-3-6(8)10-7(5)9-4-11/h6-7,10,13-14,17,24H,4-5,8-9,11-12,15-16H2,1-3H3;2-4H,1H3,(H,9,10,11).

What are the key properties of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide?

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide has a molecular weight of 687.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[3-methyl-5-(pyrrolidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;N-(6-bromo-3-methyl-2-pyridinyl)formamide is sourced from PubChem (CID 145266101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).