1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide

C88H116N44O20S10 — CID 159992715

IUPAC1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
SMILESCCC(CN)NS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(C2=NCN=N2)c1S(N)(=O)=O.CCCNS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(C2=NCN=N2)c1S(N)(=O)=O.CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(-c2nn[nH]n2)c1S(N)(=O)=O.NS(=O)(=O)c1c(S(=O)(=O)NC2CCCC2)ccc(N2CCCn3ccnc32)c1-c1nn[nH]n1.NS(=O)(=O)c1c(S(=O)(=O)NC2CCCC2)ccc(N2CCn3ccnc3C2)c1-c1nn[nH]n1
InChIInChI=1S/2C18H23N9O4S2.C18H25N9O4S2.C17H23N9O4S2.C17H22N8O4S2/c19-32(28,29)16-14(33(30,31)23-12-4-1-2-5-12)7-6-13(15(16)17-21-24-25-22-17)27-10-3-9-26-11-8-20-18(26)27;19-32(28,29)17-14(33(30,31)23-12-3-1-2-4-12)6-5-13(16(17)18-21-24-25-22-18)27-10-9-26-8-7-20-15(26)11-27;1-2-12(10-19)25-33(30,31)14-5-4-13(27-8-3-7-26-9-6-21-18(26)27)15(16(14)32(20,28)29)17-22-11-23-24-17;1-3-11(2)22-32(29,30)13-6-5-12(26-9-4-8-25-10-7-19-17(25)26)14(15(13)31(18,27)28)16-20-23-24-21-16;1-2-6-22-31(28,29)13-5-4-12(25-9-3-8-24-10-7-19-17(24)25)14(15(13)30(18,26)27)16-20-11-21-23-16/h6-8,11-12,23H,1-5,9-10H2,(H2,19,28,29)(H,21,22,24,25);5-8,12,23H,1-4,9-11H2,(H2,19,28,29)(H,21,22,24,25);4-6,9,12,25H,2-3,7-8,10-11,19H2,1H3,(H2,20,28,29);5-7,10-11,22H,3-4,8-9H2,1-2H3,(H2,18,27,28)(H,20,21,23,24);4-5,7,10,22H,2-3,6,8-9,11H2,1H3,(H2,18,26,27)/t;;;11-;/m...1./s1
InChIKeyOHDOSPDQODCLJJ-NOOFGZCMSA-N
MW2430.85 g/mol
LogP1.94
Rot. Bonds34

About 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide

1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide (PubChem CID 159992715) has the molecular formula C88H116N44O20S10 and a molecular weight of 2430.85 g/mol. Its IUPAC name is 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
PubChem CID159992715
Molecular FormulaC88H116N44O20S10
Molecular Weight2430.85 g/mol
Exact Mass2428.66
IUPAC Name1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide
SMILESCCC(CN)NS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(C2=NCN=N2)c1S(N)(=O)=O.CCCNS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(C2=NCN=N2)c1S(N)(=O)=O.CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(-c2nn[nH]n2)c1S(N)(=O)=O.NS(=O)(=O)c1c(S(=O)(=O)NC2CCCC2)ccc(N2CCCn3ccnc32)c1-c1nn[nH]n1.NS(=O)(=O)c1c(S(=O)(=O)NC2CCCC2)ccc(N2CCn3ccnc3C2)c1-c1nn[nH]n1
InChIInChI=1S/2C18H23N9O4S2.C18H25N9O4S2.C17H23N9O4S2.C17H22N8O4S2/c19-32(28,29)16-14(33(30,31)23-12-4-1-2-5-12)7-6-13(15(16)17-21-24-25-22-17)27-10-3-9-26-11-8-20-18(26)27;19-32(28,29)17-14(33(30,31)23-12-3-1-2-4-12)6-5-13(16(17)18-21-24-25-22-18)27-10-9-26-8-7-20-15(26)11-27;1-2-12(10-19)25-33(30,31)14-5-4-13(27-8-3-7-26-9-6-21-18(26)27)15(16(14)32(20,28)29)17-22-11-23-24-17;1-3-11(2)22-32(29,30)13-6-5-12(26-9-4-8-25-10-7-19-17(25)26)14(15(13)31(18,27)28)16-20-23-24-21-16;1-2-6-22-31(28,29)13-5-4-12(25-9-3-8-24-10-7-19-17(24)25)14(15(13)30(18,26)27)16-20-11-21-23-16/h6-8,11-12,23H,1-5,9-10H2,(H2,19,28,29)(H,21,22,24,25);5-8,12,23H,1-4,9-11H2,(H2,19,28,29)(H,21,22,24,25);4-6,9,12,25H,2-3,7-8,10-11,19H2,1H3,(H2,20,28,29);5-7,10-11,22H,3-4,8-9H2,1-2H3,(H2,18,27,28)(H,20,21,23,24);4-5,7,10,22H,2-3,6,8-9,11H2,1H3,(H2,18,26,27)/t;;;11-;/m...1./s1
InChIKeyOHDOSPDQODCLJJ-NOOFGZCMSA-N
XLogP1.94
TPSA900.51 Ų
H-Bond Donors14
H-Bond Acceptors51
Rotatable Bonds34
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002430.85
LogP ≤ 51.94
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1051

Analyze 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide with MolForge

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Related Compounds

1-N-(2-aminoethyl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 139310500
4-[4-(1-aminoethyl)piperidin-1-yl]-1-N-[(2R)-3-amino-2-hydroxypropyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089608
4-[4-(2-aminoethyl)piperidin-1-yl]-1-N-(1-aminopropan-2-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 137424906
1-N-cyclopentyl-4-[2-(hydroxymethyl)morpholin-4-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 157476213
1-N-[(2R)-3-amino-2-hydroxypropyl]-4-(4-imidazol-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089273
1-N-(3-amino-2-hydroxypropyl)-4-(4-imidazol-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089275
4-[(3R,4S)-4-(aminomethyl)-3-fluoropiperidin-1-yl]-1-N-[(2R)-1-aminopropan-2-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155105340
4-[4-(2-aminoethyl)piperidin-1-yl]-1-N-[(2R)-1-amino-3-hydroxypropan-2-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089344
8-[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 155338611
1-N-[(2R)-3-amino-2-hydroxypropyl]-4-[4-(1,3-dihydroxypropan-2-yl)piperazin-1-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 155089369
4-[4-(2-aminoacetyl)piperazin-1-yl]-1-N-(3-amino-2-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 137424844
1-N-[(2R)-3-amino-2-hydroxypropyl]-4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 137437578

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
The IUPAC name of 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide (CID 159992715) is 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide.
What is the SMILES notation for 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
The canonical SMILES for 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide is CCC(CN)NS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(C2=NCN=N2)c1S(N)(=O)=O.CCCNS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(C2=NCN=N2)c1S(N)(=O)=O.CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCn3ccnc32)c(-c2nn[nH]n2)c1S(N)(=O)=O.NS(=O)(=O)c1c(S(=O)(=O)NC2CCCC2)ccc(N2CCCn3ccnc32)c1-c1nn[nH]n1.NS(=O)(=O)c1c(S(=O)(=O)NC2CCCC2)ccc(N2CCn3ccnc3C2)c1-c1nn[nH]n1.
What is the InChIKey of 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
The InChIKey is OHDOSPDQODCLJJ-NOOFGZCMSA-N. The full InChI is InChI=1S/2C18H23N9O4S2.C18H25N9O4S2.C17H23N9O4S2.C17H22N8O4S2/c19-32(28,29)16-14(33(30,31)23-12-4-1-2-5-12)7-6-13(15(16)17-21-24-25-22-17)27-10-3-9-26-11-8-20-18(26)27;19-32(28,29)17-14(33(30,31)23-12-3-1-2-4-12)6-5-13(16(17)18-21-24-25-22-18)27-10-9-26-8-7-20-15(26)11-27;1-2-12(10-19)25-33(30,31)14-5-4-13(27-8-3-7-26-9-6-21-18(26)27)15(16(14)32(20,28)29)17-22-11-23-24-17;1-3-11(2)22-32(29,30)13-6-5-12(26-9-4-8-25-10-7-19-17(25)26)14(15(13)31(18,27)28)16-20-23-24-21-16;1-2-6-22-31(28,29)13-5-4-12(25-9-3-8-24-10-7-19-17(24)25)14(15(13)30(18,26)27)16-20-11-21-23-16/h6-8,11-12,23H,1-5,9-10H2,(H2,19,28,29)(H,21,22,24,25);5-8,12,23H,1-4,9-11H2,(H2,19,28,29)(H,21,22,24,25);4-6,9,12,25H,2-3,7-8,10-11,19H2,1H3,(H2,20,28,29);5-7,10-11,22H,3-4,8-9H2,1-2H3,(H2,18,27,28)(H,20,21,23,24);4-5,7,10,22H,2-3,6,8-9,11H2,1H3,(H2,18,26,27)/t;;;11-;/m...1./s1.
What are the key properties of 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide?
1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide has a molecular weight of 2430.85 g/mol, XLogP of 1.94, 34 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-aminobutan-2-yl)-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide;1-N-[(2R)-butan-2-yl]-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;1-N-cyclopentyl-4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide;4-(6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl)-1-N-propyl-3-(3H-1,2,4-triazol-5-yl)benzene-1,2-disulfonamide is sourced from PubChem (CID 159992715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).