4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide

C26H30N6O2 — CID 123420989

IUPAC4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(CC)c1C(=O)NC1=CCC(C)c2nc(-c3ccccc3)cn2C=C1
InChIInChI=1S/C26H30N6O2/c1-5-30(4)26(34)21-16-27-32(6-2)23(21)25(33)28-20-13-12-18(3)24-29-22(17-31(24)15-14-20)19-10-8-7-9-11-19/h7-11,13-18H,5-6,12H2,1-4H3,(H,28,33)
InChIKeyWVJZPXRVMJOWNO-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.15
Rot. Bonds6

About 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide

4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 123420989) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID123420989
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(CC)c1C(=O)NC1=CCC(C)c2nc(-c3ccccc3)cn2C=C1
InChIInChI=1S/C26H30N6O2/c1-5-30(4)26(34)21-16-27-32(6-2)23(21)25(33)28-20-13-12-18(3)24-29-22(17-31(24)15-14-20)19-10-8-7-9-11-19/h7-11,13-18H,5-6,12H2,1-4H3,(H,28,33)
InChIKeyWVJZPXRVMJOWNO-UHFFFAOYSA-N
XLogP4.15
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide (CID 123420989) is 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(CC)c1C(=O)NC1=CCC(C)c2nc(-c3ccccc3)cn2C=C1.
What is the InChIKey of 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is WVJZPXRVMJOWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-5-30(4)26(34)21-16-27-32(6-2)23(21)25(33)28-20-13-12-18(3)24-29-22(17-31(24)15-14-20)19-10-8-7-9-11-19/h7-11,13-18H,5-6,12H2,1-4H3,(H,28,33).
What are the key properties of 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide?
4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 458.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 123420989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).