tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide

C32H42F2N8O4 — CID 175846006

About tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide

tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide (PubChem CID 175846006) has the molecular formula C32H42F2N8O4 and a molecular weight of 640.74 g/mol. Its IUPAC name is tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 175846006
• Molecular Formula: C32H42F2N8O4
• Molecular Weight: 640.74 g/mol
• Exact Mass: 640.33
• IUPAC Name: tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C=O)C1.Cc1cn2cc(NC(=O)c3cnc(N4CC[C@@H](CN5CC[C@@H](F)C5)C4)cn3)cc(F)c2n1
• InChI: InChI=1S/C22H25F2N7O.C10H17NO3/c1-14-9-31-13-17(6-18(24)21(31)27-14)28-22(32)19-7-26-20(8-25-19)30-5-2-15(11-30)10-29-4-3-16(23)12-29;1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h6-9,13,15-16H,2-5,10-12H2,1H3,(H,28,32);7-8H,4-6H2,1-3H3/t15-,16+;8-/m01/s1
• InChIKey: WAQNJNVWVLHQDN-QSPZYTEMSA-N
• XLogP: 4.14
• TPSA: 125.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.74
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide (CID 175846006) is tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide is CC(C)(C)OC(=O)N1CC[C@@H](C=O)C1.Cc1cn2cc(NC(=O)c3cnc(N4CC[C@@H](CN5CC[C@@H](F)C5)C4)cn3)cc(F)c2n1.

What is the InChIKey of tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is WAQNJNVWVLHQDN-QSPZYTEMSA-N. The full InChI is InChI=1S/C22H25F2N7O.C10H17NO3/c1-14-9-31-13-17(6-18(24)21(31)27-14)28-22(32)19-7-26-20(8-25-19)30-5-2-15(11-30)10-29-4-3-16(23)12-29;1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h6-9,13,15-16H,2-5,10-12H2,1H3,(H,28,32);7-8H,4-6H2,1-3H3/t15-,16+;8-/m01/s1.

What are the key properties of tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide?

tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 640.74 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-formylpyrrolidine-1-carboxylate;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3S)-3-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175846006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).