N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

C22H26Cl2N4O3 — CID 46168350

IUPACN-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide
SMILESCN1C(=O)NC(c2cccc(Cl)c2Cl)C2=C1CN(CCC(=O)NC1CCCCC1)C2=O
InChIInChI=1S/C22H26Cl2N4O3/c1-27-16-12-28(11-10-17(29)25-13-6-3-2-4-7-13)21(30)18(16)20(26-22(27)31)14-8-5-9-15(23)19(14)24/h5,8-9,13,20H,2-4,6-7,10-12H2,1H3,(H,25,29)(H,26,31)
InChIKeyFJIDRMVKRFIDOM-UHFFFAOYSA-N
MW465.38 g/mol
LogP3.62
Rot. Bonds5

About N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide

N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide (PubChem CID 46168350) has the molecular formula C22H26Cl2N4O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide
PubChem CID46168350
Molecular FormulaC22H26Cl2N4O3
Molecular Weight465.38 g/mol
Exact Mass464.14
IUPAC NameN-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide
SMILESCN1C(=O)NC(c2cccc(Cl)c2Cl)C2=C1CN(CCC(=O)NC1CCCCC1)C2=O
InChIInChI=1S/C22H26Cl2N4O3/c1-27-16-12-28(11-10-17(29)25-13-6-3-2-4-7-13)21(30)18(16)20(26-22(27)31)14-8-5-9-15(23)19(14)24/h5,8-9,13,20H,2-4,6-7,10-12H2,1H3,(H,25,29)(H,26,31)
InChIKeyFJIDRMVKRFIDOM-UHFFFAOYSA-N
XLogP3.62
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide with MolForge

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Related Compounds

4-(2,3-dichlorophenyl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42873830
N-cyclohexyl-2-[4-(2-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 46168373
3-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenoxyethyl)propanamide
CID 46168367
4-(2,3-dichlorophenyl)-1-methyl-6-(pyridin-3-ylmethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792903
N-cyclopropyl-2-[4-(2,3-dimethoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 42873813
N-benzyl-2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 42685523
4-(2-chlorophenyl)-1-methyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792911
3-[(4S)-4-(2-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 93004908
3-[(4S)-4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93134411
2-[(4S)-4-(2-chlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 93134531
N-benzyl-2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
CID 46075676
(4R)-1-methyl-6-(2-oxo-2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004490

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide (CID 46168350) is N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide is CN1C(=O)NC(c2cccc(Cl)c2Cl)C2=C1CN(CCC(=O)NC1CCCCC1)C2=O.
What is the InChIKey of N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide?
The InChIKey is FJIDRMVKRFIDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3/c1-27-16-12-28(11-10-17(29)25-13-6-3-2-4-7-13)21(30)18(16)20(26-22(27)31)14-8-5-9-15(23)19(14)24/h5,8-9,13,20H,2-4,6-7,10-12H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide?
N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide has a molecular weight of 465.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(2,3-dichlorophenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 46168350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).