tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C24H28FN5O3 — CID 176735324

About tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 176735324) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• PubChem CID: 176735324
• Molecular Formula: C24H28FN5O3
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.22
• IUPAC Name: tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• SMILES: C[C@H]1c2c(nn(-c3ccc(F)c4c3CCC4)c2-n2cc[nH]c2=O)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H28FN5O3/c1-14-20-18(10-12-28(14)23(32)33-24(2,3)4)27-30(21(20)29-13-11-26-22(29)31)19-9-8-17(25)15-6-5-7-16(15)19/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,26,31)/t14-/m0/s1
• InChIKey: YDLUQBUQMDWJBP-AWEZNQCLSA-N
• XLogP: 3.83
• TPSA: 85.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The IUPAC name of tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 176735324) is tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

What is the SMILES notation for tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The canonical SMILES for tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is C[C@H]1c2c(nn(-c3ccc(F)c4c3CCC4)c2-n2cc[nH]c2=O)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

The InChIKey is YDLUQBUQMDWJBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-14-20-18(10-12-28(14)23(32)33-24(2,3)4)27-30(21(20)29-13-11-26-22(29)31)19-9-8-17(25)15-6-5-7-16(15)19/h8-9,11,13-14H,5-7,10,12H2,1-4H3,(H,26,31)/t14-/m0/s1.

What are the key properties of tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?

tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 453.52 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-4-methyl-3-(2-oxo-1H-imidazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 176735324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).