2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C29H36N4O4 — CID 137397859

IUPAC2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1ccc(CN(C)C2=C(c3cccc(OCCN4CCOCC4)c3)CCN3C(=O)N(C)C(=O)C23)cc1
InChIInChI=1S/C29H36N4O4/c1-21-7-9-22(10-8-21)20-30(2)26-25(11-12-33-27(26)28(34)31(3)29(33)35)23-5-4-6-24(19-23)37-18-15-32-13-16-36-17-14-32/h4-10,19,27H,11-18,20H2,1-3H3
InChIKeyAPBDWGUBLALBRX-UHFFFAOYSA-N
MW504.63 g/mol
LogP3.22
Rot. Bonds8

About 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 137397859) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID137397859
Molecular FormulaC29H36N4O4
Molecular Weight504.63 g/mol
Exact Mass504.27
IUPAC Name2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1ccc(CN(C)C2=C(c3cccc(OCCN4CCOCC4)c3)CCN3C(=O)N(C)C(=O)C23)cc1
InChIInChI=1S/C29H36N4O4/c1-21-7-9-22(10-8-21)20-30(2)26-25(11-12-33-27(26)28(34)31(3)29(33)35)23-5-4-6-24(19-23)37-18-15-32-13-16-36-17-14-32/h4-10,19,27H,11-18,20H2,1-3H3
InChIKeyAPBDWGUBLALBRX-UHFFFAOYSA-N
XLogP3.22
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 137397859) is 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione is Cc1ccc(CN(C)C2=C(c3cccc(OCCN4CCOCC4)c3)CCN3C(=O)N(C)C(=O)C23)cc1.
What is the InChIKey of 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is APBDWGUBLALBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-21-7-9-22(10-8-21)20-30(2)26-25(11-12-33-27(26)28(34)31(3)29(33)35)23-5-4-6-24(19-23)37-18-15-32-13-16-36-17-14-32/h4-10,19,27H,11-18,20H2,1-3H3.
What are the key properties of 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 504.63 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[methyl-[(4-methylphenyl)methyl]amino]-7-[3-(2-morpholin-4-ylethoxy)phenyl]-6,8a-dihydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 137397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).