[1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate

C25H30FN7O3 — CID 175506314

About [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate

[1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate (PubChem CID 175506314) has the molecular formula C25H30FN7O3 and a molecular weight of 495.56 g/mol. Its IUPAC name is [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate.

Molecular Properties

• Compound Name: [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate
• PubChem CID: 175506314
• Molecular Formula: C25H30FN7O3
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.24
• IUPAC Name: [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate
• SMILES: Cc1cn2cc(NC(=O)c3cnc(N4CC[C@@H](C5(OC(=O)NC(C)(C)C)CC5)C4)cn3)cc(F)c2n1
• InChI: InChI=1S/C25H30FN7O3/c1-15-12-33-14-17(9-18(26)21(33)29-15)30-22(34)19-10-28-20(11-27-19)32-8-5-16(13-32)25(6-7-25)36-23(35)31-24(2,3)4/h9-12,14,16H,5-8,13H2,1-4H3,(H,30,34)(H,31,35)/t16-/m1/s1
• InChIKey: AMULQCJSNBKPIB-MRXNPFEDSA-N
• XLogP: 3.71
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate?

The IUPAC name of [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate (CID 175506314) is [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate.

What is the SMILES notation for [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate?

The canonical SMILES for [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate is Cc1cn2cc(NC(=O)c3cnc(N4CC[C@@H](C5(OC(=O)NC(C)(C)C)CC5)C4)cn3)cc(F)c2n1.

What is the InChIKey of [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate?

The InChIKey is AMULQCJSNBKPIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H30FN7O3/c1-15-12-33-14-17(9-18(26)21(33)29-15)30-22(34)19-10-28-20(11-27-19)32-8-5-16(13-32)25(6-7-25)36-23(35)31-24(2,3)4/h9-12,14,16H,5-8,13H2,1-4H3,(H,30,34)(H,31,35)/t16-/m1/s1.

What are the key properties of [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate?

[1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate has a molecular weight of 495.56 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(3R)-1-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]cyclopropyl] N-tert-butylcarbamate is sourced from PubChem (CID 175506314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).