ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

C23H29N9O4 — CID 90067991

IUPACethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H29N9O4/c1-2-36-23(34)31-5-3-16(4-6-31)27-21(33)18-14-32-13-17(15-11-25-22(24)26-12-15)28-19(20(32)29-18)30-7-9-35-10-8-30/h11-14,16H,2-10H2,1H3,(H,27,33)(H2,24,25,26)
InChIKeyPRXZWSPMEJDCNU-UHFFFAOYSA-N
MW495.54 g/mol
LogP0.96
Rot. Bonds5

About ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 90067991) has the molecular formula C23H29N9O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID90067991
Molecular FormulaC23H29N9O4
Molecular Weight495.54 g/mol
Exact Mass495.23
IUPAC Nameethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C23H29N9O4/c1-2-36-23(34)31-5-3-16(4-6-31)27-21(33)18-14-32-13-17(15-11-25-22(24)26-12-15)28-19(20(32)29-18)30-7-9-35-10-8-30/h11-14,16H,2-10H2,1H3,(H,27,33)(H2,24,25,26)
InChIKeyPRXZWSPMEJDCNU-UHFFFAOYSA-N
XLogP0.96
TPSA153.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
N-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]benzamide
CID 175883788
methyl 12-(2-aminopyrimidin-5-yl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxylate
CID 52917086
ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate
CID 110853942
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617
ethyl 4-[(5-pyrrolidin-1-ylpyrazine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109273745
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
CID 110853943
ethyl 4-[[4-(4-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215853
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109179694

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (CID 90067991) is ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is PRXZWSPMEJDCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O4/c1-2-36-23(34)31-5-3-16(4-6-31)27-21(33)18-14-32-13-17(15-11-25-22(24)26-12-15)28-19(20(32)29-18)30-7-9-35-10-8-30/h11-14,16H,2-10H2,1H3,(H,27,33)(H2,24,25,26).
What are the key properties of ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 495.54 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 90067991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).