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

C23H32N4O2 — CID 170083473

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

tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 170083473) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 170083473
• Molecular Formula: C23H32N4O2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.25
• IUPAC Name: tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
• SMILES: C[C@H]1CC=C(c2ccc3cn(C4CCN(C)C4)nc3c2)N(C(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C23H32N4O2/c1-16-6-9-21(26(13-16)22(28)29-23(2,3)4)17-7-8-18-14-27(24-20(18)12-17)19-10-11-25(5)15-19/h7-9,12,14,16,19H,6,10-11,13,15H2,1-5H3/t16-,19?/m0/s1
• InChIKey: CQUFGEKJHRKPGA-UCFFOFKASA-N
• XLogP: 4.53
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	4.53
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-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 170083473) is tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-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-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is C[C@H]1CC=C(c2ccc3cn(C4CCN(C)C4)nc3c2)N(C(=O)OC(C)(C)C)C1.

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

The InChIKey is CQUFGEKJHRKPGA-UCFFOFKASA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-6-9-21(26(13-16)22(28)29-23(2,3)4)17-7-8-18-14-27(24-20(18)12-17)19-10-11-25(5)15-19/h7-9,12,14,16,19H,6,10-11,13,15H2,1-5H3/t16-,19?/m0/s1.

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

tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 396.54 g/mol, XLogP of 4.53, 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-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 170083473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).