tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate

C27H36N6O5 — CID 171673522

IUPACtert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCn3cc(C(=O)N4CCN(c5ccc(O)cc5)CC4)nc3C2)C1
InChIInChI=1S/C27H36N6O5/c1-27(2,3)38-26(37)33-9-8-19(16-33)24(35)32-15-14-31-17-22(28-23(31)18-32)25(36)30-12-10-29(11-13-30)20-4-6-21(34)7-5-20/h4-7,17,19,34H,8-16,18H2,1-3H3/t19-/m1/s1
InChIKeyUHXIFZNKDAUDLP-LJQANCHMSA-N
MW524.62 g/mol
LogP2.15
Rot. Bonds3

About tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 171673522) has the molecular formula C27H36N6O5 and a molecular weight of 524.62 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
PubChem CID171673522
Molecular FormulaC27H36N6O5
Molecular Weight524.62 g/mol
Exact Mass524.27
IUPAC Nametert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCn3cc(C(=O)N4CCN(c5ccc(O)cc5)CC4)nc3C2)C1
InChIInChI=1S/C27H36N6O5/c1-27(2,3)38-26(37)33-9-8-19(16-33)24(35)32-15-14-31-17-22(28-23(31)18-32)25(36)30-12-10-29(11-13-30)20-4-6-21(34)7-5-20/h4-7,17,19,34H,8-16,18H2,1-3H3/t19-/m1/s1
InChIKeyUHXIFZNKDAUDLP-LJQANCHMSA-N
XLogP2.15
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate (CID 171673522) is tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCn3cc(C(=O)N4CCN(c5ccc(O)cc5)CC4)nc3C2)C1.
What is the InChIKey of tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is UHXIFZNKDAUDLP-LJQANCHMSA-N. The full InChI is InChI=1S/C27H36N6O5/c1-27(2,3)38-26(37)33-9-8-19(16-33)24(35)32-15-14-31-17-22(28-23(31)18-32)25(36)30-12-10-29(11-13-30)20-4-6-21(34)7-5-20/h4-7,17,19,34H,8-16,18H2,1-3H3/t19-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 524.62 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[2-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 171673522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).