ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

C25H31N5O5 — CID 135895061

IUPACethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)CC1
InChIInChI=1S/C25H31N5O5/c1-4-35-24(34)16-9-11-30(12-10-16)25-28-21-20(23(33)29-25)18(13-19(31)27-21)22(32)26-17-7-5-15(6-8-17)14(2)3/h5-8,14,16,18H,4,9-13H2,1-3H3,(H,26,32)(H2,27,28,29,31,33)/t18-/m0/s1
InChIKeyMIWSIXITMKPNKL-SFHVURJKSA-N
MW481.55 g/mol
LogP2.74
Rot. Bonds6

About ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate

ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate (PubChem CID 135895061) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
PubChem CID135895061
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Nameethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)CC1
InChIInChI=1S/C25H31N5O5/c1-4-35-24(34)16-9-11-30(12-10-16)25-28-21-20(23(33)29-25)18(13-19(31)27-21)22(32)26-17-7-5-15(6-8-17)14(2)3/h5-8,14,16,18H,4,9-13H2,1-3H3,(H,26,32)(H2,27,28,29,31,33)/t18-/m0/s1
InChIKeyMIWSIXITMKPNKL-SFHVURJKSA-N
XLogP2.74
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(5S)-5-[(4-fluorophenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895063
ethyl 1-[(5S)-4,7-dioxo-5-(phenylcarbamoyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135886172
ethyl 1-[(5R)-5-(ethylcarbamoyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895070
(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960279
ethyl 1-[(5S)-5-(benzylcarbamoyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895065
ethyl 1-[(5R)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 136896719
(5R)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028006
(5S)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960177
(5S)-4,7-dioxo-2-piperidin-1-yl-N-(4-prop-1-en-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136905653
2-(2,3-dihydroindol-1-yl)-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993984
(5R)-N-(4-ethylphenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937654
(5S)-N-(4-acetamidophenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896557

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate (CID 135895061) is ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)CC1.
What is the InChIKey of ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate?
The InChIKey is MIWSIXITMKPNKL-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-4-35-24(34)16-9-11-30(12-10-16)25-28-21-20(23(33)29-25)18(13-19(31)27-21)22(32)26-17-7-5-15(6-8-17)14(2)3/h5-8,14,16,18H,4,9-13H2,1-3H3,(H,26,32)(H2,27,28,29,31,33)/t18-/m0/s1.
What are the key properties of ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate?
ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 135895061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).