methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C28H25N3O5 — CID 17250699

IUPACmethyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESC=Cc1ccc(Cn2c(=O)c3c(C(=O)OC)cc(C4CC4)nc3n(-c3ccccc3OC)c2=O)cc1
InChIInChI=1S/C28H25N3O5/c1-4-17-9-11-18(12-10-17)16-30-26(32)24-20(27(33)36-3)15-21(19-13-14-19)29-25(24)31(28(30)34)22-7-5-6-8-23(22)35-2/h4-12,15,19H,1,13-14,16H2,2-3H3
InChIKeyWPDNHBWNZHUXDY-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.91
Rot. Bonds7

About methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 17250699) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID17250699
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Namemethyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESC=Cc1ccc(Cn2c(=O)c3c(C(=O)OC)cc(C4CC4)nc3n(-c3ccccc3OC)c2=O)cc1
InChIInChI=1S/C28H25N3O5/c1-4-17-9-11-18(12-10-17)16-30-26(32)24-20(27(33)36-3)15-21(19-13-14-19)29-25(24)31(28(30)34)22-7-5-6-8-23(22)35-2/h4-12,15,19H,1,13-14,16H2,2-3H3
InChIKeyWPDNHBWNZHUXDY-UHFFFAOYSA-N
XLogP3.91
TPSA92.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 17250699) is methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is C=Cc1ccc(Cn2c(=O)c3c(C(=O)OC)cc(C4CC4)nc3n(-c3ccccc3OC)c2=O)cc1.
What is the InChIKey of methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is WPDNHBWNZHUXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-4-17-9-11-18(12-10-17)16-30-26(32)24-20(27(33)36-3)15-21(19-13-14-19)29-25(24)31(28(30)34)22-7-5-6-8-23(22)35-2/h4-12,15,19H,1,13-14,16H2,2-3H3.
What are the key properties of methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 483.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 17250699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).