tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate

C31H35FN8O3 — CID 70814963

About tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate

tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate (PubChem CID 70814963) has the molecular formula C31H35FN8O3 and a molecular weight of 586.67 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate
• PubChem CID: 70814963
• Molecular Formula: C31H35FN8O3
• Molecular Weight: 586.67 g/mol
• Exact Mass: 586.28
• IUPAC Name: tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate
• SMILES: CCc1nn(Cc2cnn(C3CCN(C(=O)OC(C)(C)C)C[C@H]3F)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12
• InChI: InChI=1S/C31H35FN8O3/c1-5-22-28-23(35-29(41)26-16-33-27-11-6-7-13-38(26)27)9-8-10-25(28)40(36-22)18-20-15-34-39(17-20)24-12-14-37(19-21(24)32)30(42)43-31(2,3)4/h6-11,13,15-17,21,24H,5,12,14,18-19H2,1-4H3,(H,35,41)/t21-,24?/m1/s1
• InChIKey: LDWMTXJTDBNCJV-CILPGNKCSA-N
• XLogP: 5.26
• TPSA: 111.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.67
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate?

The IUPAC name of tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate (CID 70814963) is tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate is CCc1nn(Cc2cnn(C3CCN(C(=O)OC(C)(C)C)C[C@H]3F)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12.

What is the InChIKey of tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate?

The InChIKey is LDWMTXJTDBNCJV-CILPGNKCSA-N. The full InChI is InChI=1S/C31H35FN8O3/c1-5-22-28-23(35-29(41)26-16-33-27-11-6-7-13-38(26)27)9-8-10-25(28)40(36-22)18-20-15-34-39(17-20)24-12-14-37(19-21(24)32)30(42)43-31(2,3)4/h6-11,13,15-17,21,24H,5,12,14,18-19H2,1-4H3,(H,35,41)/t21-,24?/m1/s1.

What are the key properties of tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate?

tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate has a molecular weight of 586.67 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-4-[4-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 70814963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).