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

C23H26N4O5 — CID 50812767

IUPACethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ncc(C)c(OC)c1C)c(=O)n2C
InChIInChI=1S/C23H26N4O5/c1-6-32-22(29)15-9-16(14-7-8-14)25-20-18(15)21(28)27(23(30)26(20)4)11-17-13(3)19(31-5)12(2)10-24-17/h9-10,14H,6-8,11H2,1-5H3
InChIKeyVPNGHQXTNPWFKY-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.22
Rot. Bonds6

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

ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 50812767) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID50812767
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Nameethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ncc(C)c(OC)c1C)c(=O)n2C
InChIInChI=1S/C23H26N4O5/c1-6-32-22(29)15-9-16(14-7-8-14)25-20-18(15)21(28)27(23(30)26(20)4)11-17-13(3)19(31-5)12(2)10-24-17/h9-10,14H,6-8,11H2,1-5H3
InChIKeyVPNGHQXTNPWFKY-UHFFFAOYSA-N
XLogP2.22
TPSA105.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-cyclopropyl-3-[(4-fluorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238718
ethyl 3-[(3-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238717
ethyl 3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812780
ethyl 3-(2-anilino-2-oxoethyl)-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 42582849
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53199651
methyl 7-cyclopropyl-3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238738
methyl 7-cyclopropyl-1-methyl-2,4-dioxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrido[2,3-d]pyrimidine-5-carboxylate
CID 95054397
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
ethyl 1,3-dimethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 47008966
ethyl 1,3-dimethyl-7-(4-methyl-3-nitrophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2422325
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943

Frequently Asked Questions

What is the IUPAC name of ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 50812767) is ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ncc(C)c(OC)c1C)c(=O)n2C.
What is the InChIKey of ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is VPNGHQXTNPWFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-6-32-22(29)15-9-16(14-7-8-14)25-20-18(15)21(28)27(23(30)26(20)4)11-17-13(3)19(31-5)12(2)10-24-17/h9-10,14H,6-8,11H2,1-5H3.
What are the key properties of ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-cyclopropyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 50812767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).