N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C45H40N10O7S2 — CID 66614761

IUPACN-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCOCc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.Cn1ncc2c(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)cccc21
InChIInChI=1S/C23H22N4O4S.C22H18N6O3S/c1-2-31-16-18-5-3-4-6-21(18)32(29,30)20-9-7-17(8-10-20)13-25-22(28)19-14-26-23-24-11-12-27(23)15-19;1-27-19-3-2-4-20(18(19)13-26-27)32(30,31)17-7-5-15(6-8-17)11-24-21(29)16-12-25-22-23-9-10-28(22)14-16/h3-12,14-15H,2,13,16H2,1H3,(H,25,28);2-10,12-14H,11H2,1H3,(H,24,29)
InChIKeyGSDMLHQJSIIQSB-UHFFFAOYSA-N
MW897.01 g/mol
LogP5.41
Rot. Bonds13

About N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 66614761) has the molecular formula C45H40N10O7S2 and a molecular weight of 897.01 g/mol. Its IUPAC name is N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID66614761
Molecular FormulaC45H40N10O7S2
Molecular Weight897.01 g/mol
Exact Mass896.25
IUPAC NameN-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCOCc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.Cn1ncc2c(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)cccc21
InChIInChI=1S/C23H22N4O4S.C22H18N6O3S/c1-2-31-16-18-5-3-4-6-21(18)32(29,30)20-9-7-17(8-10-20)13-25-22(28)19-14-26-23-24-11-12-27(23)15-19;1-27-19-3-2-4-20(18(19)13-26-27)32(30,31)17-7-5-15(6-8-17)11-24-21(29)16-12-25-22-23-9-10-28(22)14-16/h3-12,14-15H,2,13,16H2,1H3,(H,25,28);2-10,12-14H,11H2,1H3,(H,24,29)
InChIKeyGSDMLHQJSIIQSB-UHFFFAOYSA-N
XLogP5.41
TPSA213.91 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.01
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(4-naphthalen-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 56943499
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
N-[(4-phenoxathiin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613723
N-[[4-(4-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90013144
N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90012908
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[[4-[3-(2-methylpropylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610648
N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613859
N-[[4-[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66610455
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609844
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 66614761) is N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is CCOCc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1.Cn1ncc2c(S(=O)(=O)c3ccc(CNC(=O)c4cnc5nccn5c4)cc3)cccc21.
What is the InChIKey of N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is GSDMLHQJSIIQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.C22H18N6O3S/c1-2-31-16-18-5-3-4-6-21(18)32(29,30)20-9-7-17(8-10-20)13-25-22(28)19-14-26-23-24-11-12-27(23)15-19;1-27-19-3-2-4-20(18(19)13-26-27)32(30,31)17-7-5-15(6-8-17)11-24-21(29)16-12-25-22-23-9-10-28(22)14-16/h3-12,14-15H,2,13,16H2,1H3,(H,25,28);2-10,12-14H,11H2,1H3,(H,24,29).
What are the key properties of N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 897.01 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethoxymethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(1-methylindazol-4-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 66614761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).