methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate

C26H28N4O5 — CID 29056449

IUPACmethyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@H]1C)c(=O)n2-c1ccccc1
InChIInChI=1S/C26H28N4O5/c1-16-8-6-7-13-28(16)21(31)15-29-24(32)22-19(25(33)35-2)14-20(17-11-12-17)27-23(22)30(26(29)34)18-9-4-3-5-10-18/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3/t16-/m1/s1
InChIKeyZSGASRCSFYJSRF-MRXNPFEDSA-N
MW476.53 g/mol
LogP2.61
Rot. Bonds5

About methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate

methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 29056449) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID29056449
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Namemethyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@H]1C)c(=O)n2-c1ccccc1
InChIInChI=1S/C26H28N4O5/c1-16-8-6-7-13-28(16)21(31)15-29-24(32)22-19(25(33)35-2)14-20(17-11-12-17)27-23(22)30(26(29)34)18-9-4-3-5-10-18/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3/t16-/m1/s1
InChIKeyZSGASRCSFYJSRF-MRXNPFEDSA-N
XLogP2.61
TPSA103.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl 7-cyclopropyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250790
methyl 7-cyclopropyl-3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250779
methyl 7-cyclopropyl-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250817
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29057460
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
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250699
methyl 7-cyclopropyl-3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238738
3-(3-methylphenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 22429437
9-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
CID 6619259
methyl 3-[2-(2-fluoroanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250660
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096937

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate (CID 29056449) is methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@H]1C)c(=O)n2-c1ccccc1.
What is the InChIKey of methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is ZSGASRCSFYJSRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-16-8-6-7-13-28(16)21(31)15-29-24(32)22-19(25(33)35-2)14-20(17-11-12-17)27-23(22)30(26(29)34)18-9-4-3-5-10-18/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 29056449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).