N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide

C26H30Cl2N6O5S — CID 143919708

IUPACN-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCC1CC(C)CN(C(=O)Cn2cc(N3CCCS3=O)n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc23)C1
InChIInChI=1S/C26H30Cl2N6O5S/c1-15-8-16(2)12-31(11-15)21(35)14-32-13-20(33-6-3-7-40(33)39)34-25(38)23(36)22(30-26(32)34)24(37)29-10-17-4-5-18(27)19(28)9-17/h4-5,9,13,15-16,36H,3,6-8,10-12,14H2,1-2H3,(H,29,37)
InChIKeyZAWONCSZFWOVTD-UHFFFAOYSA-N
MW609.54 g/mol
LogP2.82
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide

N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 143919708) has the molecular formula C26H30Cl2N6O5S and a molecular weight of 609.54 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID143919708
Molecular FormulaC26H30Cl2N6O5S
Molecular Weight609.54 g/mol
Exact Mass608.14
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCC1CC(C)CN(C(=O)Cn2cc(N3CCCS3=O)n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc23)C1
InChIInChI=1S/C26H30Cl2N6O5S/c1-15-8-16(2)12-31(11-15)21(35)14-32-13-20(33-6-3-7-40(33)39)34-25(38)23(36)22(30-26(32)34)24(37)29-10-17-4-5-18(27)19(28)9-17/h4-5,9,13,15-16,36H,3,6-8,10-12,14H2,1-2H3,(H,29,37)
InChIKeyZAWONCSZFWOVTD-UHFFFAOYSA-N
XLogP2.82
TPSA129.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide (CID 143919708) is N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide is CC1CC(C)CN(C(=O)Cn2cc(N3CCCS3=O)n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc23)C1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is ZAWONCSZFWOVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N6O5S/c1-15-8-16(2)12-31(11-15)21(35)14-32-13-20(33-6-3-7-40(33)39)34-25(38)23(36)22(30-26(32)34)24(37)29-10-17-4-5-18(27)19(28)9-17/h4-5,9,13,15-16,36H,3,6-8,10-12,14H2,1-2H3,(H,29,37).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 609.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-hydroxy-5-oxo-3-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143919708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).