(4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C25H25ClN4O5 — CID 99743541

IUPAC(4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)CC1
InChIInChI=1S/C25H25ClN4O5/c1-34-20-5-3-2-4-18(20)28-10-12-29(13-11-28)21(31)14-30-19-15-35-24(32)22(19)23(27-25(30)33)16-6-8-17(26)9-7-16/h2-9,23H,10-15H2,1H3,(H,27,33)/t23-/m0/s1
InChIKeyAFAFUOXOTOFFDQ-QHCPKHFHSA-N
MW496.95 g/mol
LogP2.57
Rot. Bonds5

About (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

(4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 99743541) has the molecular formula C25H25ClN4O5 and a molecular weight of 496.95 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID99743541
Molecular FormulaC25H25ClN4O5
Molecular Weight496.95 g/mol
Exact Mass496.15
IUPAC Name(4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)CC1
InChIInChI=1S/C25H25ClN4O5/c1-34-20-5-3-2-4-18(20)28-10-12-29(13-11-28)21(31)14-30-19-15-35-24(32)22(19)23(27-25(30)33)16-6-8-17(26)9-7-16/h2-9,23H,10-15H2,1H3,(H,27,33)/t23-/m0/s1
InChIKeyAFAFUOXOTOFFDQ-QHCPKHFHSA-N
XLogP2.57
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

4-(2-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887130
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 91894858
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 99744709
2-(4-chlorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 73340879
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 91894862
methyl 2-[[2-[(4R)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 99743548
(4S)-4-(2-chlorophenyl)-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 98184418
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
N,N-diethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128634
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 99743767
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
4-(3-chlorophenyl)-6-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46075587

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 99743541) is (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)CC1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is AFAFUOXOTOFFDQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25ClN4O5/c1-34-20-5-3-2-4-18(20)28-10-12-29(13-11-28)21(31)14-30-19-15-35-24(32)22(19)23(27-25(30)33)16-6-8-17(26)9-7-16/h2-9,23H,10-15H2,1H3,(H,27,33)/t23-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
(4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 496.95 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 99743541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).