[(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate

C27H35N5O5 — CID 53345315

About [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate

[(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate (PubChem CID 53345315) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
• PubChem CID: 53345315
• Molecular Formula: C27H35N5O5
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.26
• IUPAC Name: [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
• SMILES: CCC[C@H](C)OC(=O)Nc1ccc(-c2nc([C@H]3CCN(C(=O)COC)C3)n3ccnc(C)c23)cc1OC
• InChI: InChI=1S/C27H35N5O5/c1-6-7-17(2)37-27(34)29-21-9-8-19(14-22(21)36-5)24-25-18(3)28-11-13-32(25)26(30-24)20-10-12-31(15-20)23(33)16-35-4/h8-9,11,13-14,17,20H,6-7,10,12,15-16H2,1-5H3,(H,29,34)/t17-,20-/m0/s1
• InChIKey: YJRGNMKEHQAWIP-PXNSSMCTSA-N
• XLogP: 4.41
• TPSA: 107.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?

The IUPAC name of [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate (CID 53345315) is [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate.

What is the SMILES notation for [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?

The canonical SMILES for [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate is CCC[C@H](C)OC(=O)Nc1ccc(-c2nc([C@H]3CCN(C(=O)COC)C3)n3ccnc(C)c23)cc1OC.

What is the InChIKey of [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?

The InChIKey is YJRGNMKEHQAWIP-PXNSSMCTSA-N. The full InChI is InChI=1S/C27H35N5O5/c1-6-7-17(2)37-27(34)29-21-9-8-19(14-22(21)36-5)24-25-18(3)28-11-13-32(25)26(30-24)20-10-12-31(15-20)23(33)16-35-4/h8-9,11,13-14,17,20H,6-7,10,12,15-16H2,1-5H3,(H,29,34)/t17-,20-/m0/s1.

What are the key properties of [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?

[(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate has a molecular weight of 509.61 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 53345315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).