tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate

C22H29N3O3 — CID 169112231

About tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 169112231) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 169112231
• Molecular Formula: C22H29N3O3
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.22
• IUPAC Name: tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
• SMILES: C[C@H]1CC=C(c2ccc3cn(C4CCOC4)nc3c2)N(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C22H29N3O3/c1-15-5-8-20(24(12-15)21(26)28-22(2,3)4)16-6-7-17-13-25(23-19(17)11-16)18-9-10-27-14-18/h6-8,11,13,15,18H,5,9-10,12,14H2,1-4H3/t15-,18?/m0/s1
• InChIKey: CVZBINMDKCRCBK-BUSXIPJBSA-N
• XLogP: 4.62
• TPSA: 56.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.49
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 169112231) is tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is C[C@H]1CC=C(c2ccc3cn(C4CCOC4)nc3c2)N(C(=O)OC(C)(C)C)C1.

What is the InChIKey of tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is CVZBINMDKCRCBK-BUSXIPJBSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-5-8-20(24(12-15)21(26)28-22(2,3)4)16-6-7-17-13-25(23-19(17)11-16)18-9-10-27-14-18/h6-8,11,13,15,18H,5,9-10,12,14H2,1-4H3/t15-,18?/m0/s1.

What are the key properties of tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?

tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 169112231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).