carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten

C62H74ClN20O4S2W- — CID 158969002

IUPACcarbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten
SMILESCNCc1cn2c(n1)CC(N(C)c1ncnc3[nH]ccc13)CC2.CNCc1cn2c(n1)CC(N(C)c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)CC2.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCn5cc(CCl)nc5C4)ncnc32)cc1.[CH3-].[W]
InChIInChI=1S/C23H27N7O2S.C22H23ClN6O2S.C16H21N7.CH3.W/c1-16-4-6-19(7-5-16)33(31,32)30-11-9-20-22(25-15-26-23(20)30)28(3)18-8-10-29-14-17(13-24-2)27-21(29)12-18;1-15-3-5-18(6-4-15)32(30,31)29-10-8-19-21(24-14-25-22(19)29)27(2)17-7-9-28-13-16(12-23)26-20(28)11-17;1-17-8-11-9-23-6-4-12(7-14(23)21-11)22(2)16-13-3-5-18-15(13)19-10-20-16;;/h4-7,9,11,14-15,18,24H,8,10,12-13H2,1-3H3;3-6,8,10,13-14,17H,7,9,11-12H2,1-2H3;3,5,9-10,12,17H,4,6-8H2,1-2H3,(H,18,19,20);1H3;/q;;;-1;
InChIKeyJMZYIZXBFGXQKF-UHFFFAOYSA-N
MW1446.84 g/mol
LogP7.48
Rot. Bonds15

About carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten

carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten (PubChem CID 158969002) has the molecular formula C62H74ClN20O4S2W- and a molecular weight of 1446.84 g/mol. Its IUPAC name is carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten.

Molecular Properties

Compound Namecarbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten
PubChem CID158969002
Molecular FormulaC62H74ClN20O4S2W-
Molecular Weight1446.84 g/mol
Exact Mass1445.48
IUPAC Namecarbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten
SMILESCNCc1cn2c(n1)CC(N(C)c1ncnc3[nH]ccc13)CC2.CNCc1cn2c(n1)CC(N(C)c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)CC2.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCn5cc(CCl)nc5C4)ncnc32)cc1.[CH3-].[W]
InChIInChI=1S/C23H27N7O2S.C22H23ClN6O2S.C16H21N7.CH3.W/c1-16-4-6-19(7-5-16)33(31,32)30-11-9-20-22(25-15-26-23(20)30)28(3)18-8-10-29-14-17(13-24-2)27-21(29)12-18;1-15-3-5-18(6-4-15)32(30,31)29-10-8-19-21(24-14-25-22(19)29)27(2)17-7-9-28-13-16(12-23)26-20(28)11-17;1-17-8-11-9-23-6-4-12(7-14(23)21-11)22(2)16-13-3-5-18-15(13)19-10-20-16;;/h4-7,9,11,14-15,18,24H,8,10,12-13H2,1-3H3;3-6,8,10,13-14,17H,7,9,11-12H2,1-2H3;3,5,9-10,12,17H,4,6-8H2,1-2H3,(H,18,19,20);1H3;/q;;;-1;
InChIKeyJMZYIZXBFGXQKF-UHFFFAOYSA-N
XLogP7.48
TPSA258.51 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.84
LogP ≤ 57.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?
The IUPAC name of carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten (CID 158969002) is carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten.
What is the SMILES notation for carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?
The canonical SMILES for carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten is CNCc1cn2c(n1)CC(N(C)c1ncnc3[nH]ccc13)CC2.CNCc1cn2c(n1)CC(N(C)c1ncnc3c1ccn3S(=O)(=O)c1ccc(C)cc1)CC2.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CCn5cc(CCl)nc5C4)ncnc32)cc1.[CH3-].[W].
What is the InChIKey of carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?
The InChIKey is JMZYIZXBFGXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S.C22H23ClN6O2S.C16H21N7.CH3.W/c1-16-4-6-19(7-5-16)33(31,32)30-11-9-20-22(25-15-26-23(20)30)28(3)18-8-10-29-14-17(13-24-2)27-21(29)12-18;1-15-3-5-18(6-4-15)32(30,31)29-10-8-19-21(24-14-25-22(19)29)27(2)17-7-9-28-13-16(12-23)26-20(28)11-17;1-17-8-11-9-23-6-4-12(7-14(23)21-11)22(2)16-13-3-5-18-15(13)19-10-20-16;;/h4-7,9,11,14-15,18,24H,8,10,12-13H2,1-3H3;3-6,8,10,13-14,17H,7,9,11-12H2,1-2H3;3,5,9-10,12,17H,4,6-8H2,1-2H3,(H,18,19,20);1H3;/q;;;-1;.
What are the key properties of carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten?
carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten has a molecular weight of 1446.84 g/mol, XLogP of 7.48, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten is sourced from PubChem (CID 158969002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).