ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C28H25N5O5 — CID 70822072

IUPACethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2c(c(NNC(=O)c3ccco3)nc(=O)n2-c2ccccc2)C1c1ccccc1
InChIInChI=1S/C28H25N5O5/c1-3-37-27(35)21-17(2)29-25-23(22(21)18-11-6-4-7-12-18)24(31-32-26(34)20-15-10-16-38-20)30-28(36)33(25)19-13-8-5-9-14-19/h4-16,22,29H,3H2,1-2H3,(H,32,34)(H,30,31,36)
InChIKeyUTTDHXJMPYDVJX-UHFFFAOYSA-N
MW511.54 g/mol
LogP3.98
Rot. Bonds7

About ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 70822072) has the molecular formula C28H25N5O5 and a molecular weight of 511.54 g/mol. Its IUPAC name is ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID70822072
Molecular FormulaC28H25N5O5
Molecular Weight511.54 g/mol
Exact Mass511.19
IUPAC Nameethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2c(c(NNC(=O)c3ccco3)nc(=O)n2-c2ccccc2)C1c1ccccc1
InChIInChI=1S/C28H25N5O5/c1-3-37-27(35)21-17(2)29-25-23(22(21)18-11-6-4-7-12-18)24(31-32-26(34)20-15-10-16-38-20)30-28(36)33(25)19-13-8-5-9-14-19/h4-16,22,29H,3H2,1-2H3,(H,32,34)(H,30,31,36)
InChIKeyUTTDHXJMPYDVJX-UHFFFAOYSA-N
XLogP3.98
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 70822072) is ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2c(c(NNC(=O)c3ccco3)nc(=O)n2-c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UTTDHXJMPYDVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O5/c1-3-37-27(35)21-17(2)29-25-23(22(21)18-11-6-4-7-12-18)24(31-32-26(34)20-15-10-16-38-20)30-28(36)33(25)19-13-8-5-9-14-19/h4-16,22,29H,3H2,1-2H3,(H,32,34)(H,30,31,36).
What are the key properties of ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 511.54 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(furan-2-carbonyl)hydrazinyl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 70822072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).