N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide

C24H25N7O — CID 167339622

About N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide

N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide (PubChem CID 167339622) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide
• PubChem CID: 167339622
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide
• SMILES: N#CN1[C@H]2CC[C@@H]1[C@H](NC(=O)C1CCc3nn(-c4cccc(C5(C#N)CC5)n4)cc3C1)C2
• InChI: InChI=1S/C24H25N7O/c25-13-24(8-9-24)21-2-1-3-22(28-21)31-12-16-10-15(4-6-18(16)29-31)23(32)27-19-11-17-5-7-20(19)30(17)14-26/h1-3,12,15,17,19-20H,4-11H2,(H,27,32)/t15?,17-,19+,20+/m0/s1
• InChIKey: IEQQFSVNZHPGBK-RWWRMHFQSA-N
• XLogP: 2.13
• TPSA: 110.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide?

The IUPAC name of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide (CID 167339622) is N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide.

What is the SMILES notation for N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide?

The canonical SMILES for N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide is N#CN1[C@H]2CC[C@@H]1[C@H](NC(=O)C1CCc3nn(-c4cccc(C5(C#N)CC5)n4)cc3C1)C2.

What is the InChIKey of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide?

The InChIKey is IEQQFSVNZHPGBK-RWWRMHFQSA-N. The full InChI is InChI=1S/C24H25N7O/c25-13-24(8-9-24)21-2-1-3-22(28-21)31-12-16-10-15(4-6-18(16)29-31)23(32)27-19-11-17-5-7-20(19)30(17)14-26/h1-3,12,15,17,19-20H,4-11H2,(H,27,32)/t15?,17-,19+,20+/m0/s1.

What are the key properties of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide?

N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide is sourced from PubChem (CID 167339622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).