7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide

C25H22FN5O4 — CID 143346165

IUPAC7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C=O)c(C)c3)n3c(O)cnc3n2)ccc1F
InChIInChI=1S/C25H22FN5O4/c1-14-7-16(3-5-18(14)13-32)11-28-24(35)21-9-20(30-25-29-12-22(33)31(21)25)23(34)27-10-17-4-6-19(26)15(2)8-17/h3-9,12-13,33H,10-11H2,1-2H3,(H,27,34)(H,28,35)
InChIKeyYGAHWDZQDHHTCG-UHFFFAOYSA-N
MW475.48 g/mol
LogP2.86
Rot. Bonds7

About 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143346165) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide
PubChem CID143346165
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C=O)c(C)c3)n3c(O)cnc3n2)ccc1F
InChIInChI=1S/C25H22FN5O4/c1-14-7-16(3-5-18(14)13-32)11-28-24(35)21-9-20(30-25-29-12-22(33)31(21)25)23(34)27-10-17-4-6-19(26)15(2)8-17/h3-9,12-13,33H,10-11H2,1-2H3,(H,27,34)(H,28,35)
InChIKeyYGAHWDZQDHHTCG-UHFFFAOYSA-N
XLogP2.86
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide (CID 143346165) is 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide is Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C=O)c(C)c3)n3c(O)cnc3n2)ccc1F.
What is the InChIKey of 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is YGAHWDZQDHHTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c1-14-7-16(3-5-18(14)13-32)11-28-24(35)21-9-20(30-25-29-12-22(33)31(21)25)23(34)27-10-17-4-6-19(26)15(2)8-17/h3-9,12-13,33H,10-11H2,1-2H3,(H,27,34)(H,28,35).
What are the key properties of 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 475.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(4-formyl-3-methylphenyl)methyl]-3-hydroxyimidazo[1,2-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143346165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).