3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

C24H29ClN8O4 — CID 143816561

About 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 143816561) has the molecular formula C24H29ClN8O4 and a molecular weight of 529.00 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
• PubChem CID: 143816561
• Molecular Formula: C24H29ClN8O4
• Molecular Weight: 529.00 g/mol
• Exact Mass: 528.20
• IUPAC Name: 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
• SMILES: C=C(CCc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1
• InChI: InChI=1S/C24H29ClN8O4/c1-14(17-12-28-24(29-17)32-23(35)19-21(26)31-22(27)20(25)30-19)2-3-15-4-6-16(7-5-15)37-13-18(34)33-8-10-36-11-9-33/h4-7,17H,1-3,8-13H2,(H4,26,27,31)(H2,28,29,32,35)/t17-/m0/s1
• InChIKey: XRCPJYDJSUBPAN-KRWDZBQOSA-N
• XLogP: 0.78
• TPSA: 170.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.00
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (CID 143816561) is 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is C=C(CCc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N1.

What is the InChIKey of 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

The InChIKey is XRCPJYDJSUBPAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H29ClN8O4/c1-14(17-12-28-24(29-17)32-23(35)19-21(26)31-22(27)20(25)30-19)2-3-15-4-6-16(7-5-15)37-13-18(34)33-8-10-36-11-9-33/h4-7,17H,1-3,8-13H2,(H4,26,27,31)(H2,28,29,32,35)/t17-/m0/s1.

What are the key properties of 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?

3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 529.00 g/mol, XLogP of 0.78, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-6-chloro-N-[(5R)-5-[4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]but-1-en-2-yl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 143816561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).