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

C20H18FN3O4 — CID 71897602

IUPAC(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3ccc(F)cc3)cc(C3CC3)nc21
InChIInChI=1S/C20H18FN3O4/c1-2-24-17-16(18(25)23-20(24)27)14(9-15(22-17)12-5-6-12)19(26)28-10-11-3-7-13(21)8-4-11/h3-4,7-9,12H,2,5-6,10H2,1H3,(H,23,25,27)
InChIKeyWRZHGHWDYNCJTB-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.48
Rot. Bonds5

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

(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 71897602) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID71897602
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3ccc(F)cc3)cc(C3CC3)nc21
InChIInChI=1S/C20H18FN3O4/c1-2-24-17-16(18(25)23-20(24)27)14(9-15(22-17)12-5-6-12)19(26)28-10-11-3-7-13(21)8-4-11/h3-4,7-9,12H,2,5-6,10H2,1H3,(H,23,25,27)
InChIKeyWRZHGHWDYNCJTB-UHFFFAOYSA-N
XLogP2.48
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39683908
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-ethyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39628079
N-[(3-butoxyphenyl)methyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 60555570
ethyl 7-cyclopropyl-3-[(4-fluorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238718
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55977632
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55786643
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120804444
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55967720

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 71897602) is (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is CCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3ccc(F)cc3)cc(C3CC3)nc21.
What is the InChIKey of (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is WRZHGHWDYNCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-2-24-17-16(18(25)23-20(24)27)14(9-15(22-17)12-5-6-12)19(26)28-10-11-3-7-13(21)8-4-11/h3-4,7-9,12H,2,5-6,10H2,1H3,(H,23,25,27).
What are the key properties of (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 383.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 71897602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).