carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane

C71H85ClN27O7- — CID 167684619

About carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane

carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane (PubChem CID 167684619) has the molecular formula C71H85ClN27O7- and a molecular weight of 1464.10 g/mol. Its IUPAC name is carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane.

Molecular Properties

• Compound Name: carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane
• PubChem CID: 167684619
• Molecular Formula: C71H85ClN27O7-
• Molecular Weight: 1464.10 g/mol
• Exact Mass: 1462.68
• IUPAC Name: carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane
• SMILES: C.CCc1nc(C)cn1-c1cn(C)cn1.CCn1nc(C)cc1-c1cn(C)c(-c2nc(C(=O)NCc3ccc(OC)cc3OC)nc3c2cnn3C)n1.CCn1nc(C)cc1-c1cn(C)c(-c2nc(C(N)=O)nc3c2cnn3C)n1.COc1ccc(CNC(=O)c2nc(Cl)c3cnn(C)c3n2)c(OC)c1.[CH3-]
• InChI: InChI=1S/C26H29N9O3.C17H19N9O.C16H16ClN5O3.C10H14N4.CH4.CH3/c1-7-35-20(10-15(2)32-35)19-14-33(3)25(29-19)22-18-13-28-34(4)24(18)31-23(30-22)26(36)27-12-16-8-9-17(37-5)11-21(16)38-6;1-5-26-12(6-9(2)23-26)11-8-24(3)17(20-11)13-10-7-19-25(4)16(10)22-15(21-13)14(18)27;1-22-15-11(8-19-22)13(17)20-14(21-15)16(23)18-7-9-4-5-10(24-2)6-12(9)25-3;1-4-9-12-8(2)5-14(9)10-6-13(3)7-11-10;;/h8-11,13-14H,7,12H2,1-6H3,(H,27,36);6-8H,5H2,1-4H3,(H2,18,27);4-6,8H,7H2,1-3H3,(H,18,23);5-7H,4H2,1-3H3;1H4;1H3/q;;;;;-1
• InChIKey: WANCTJUDRHXPHJ-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 375.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1464.10
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane?

The IUPAC name of carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane (CID 167684619) is carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane.

What is the SMILES notation for carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane?

The canonical SMILES for carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane is C.CCc1nc(C)cn1-c1cn(C)cn1.CCn1nc(C)cc1-c1cn(C)c(-c2nc(C(=O)NCc3ccc(OC)cc3OC)nc3c2cnn3C)n1.CCn1nc(C)cc1-c1cn(C)c(-c2nc(C(N)=O)nc3c2cnn3C)n1.COc1ccc(CNC(=O)c2nc(Cl)c3cnn(C)c3n2)c(OC)c1.[CH3-].

What is the InChIKey of carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane?

The InChIKey is WANCTJUDRHXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O3.C17H19N9O.C16H16ClN5O3.C10H14N4.CH4.CH3/c1-7-35-20(10-15(2)32-35)19-14-33(3)25(29-19)22-18-13-28-34(4)24(18)31-23(30-22)26(36)27-12-16-8-9-17(37-5)11-21(16)38-6;1-5-26-12(6-9(2)23-26)11-8-24(3)17(20-11)13-10-7-19-25(4)16(10)22-15(21-13)14(18)27;1-22-15-11(8-19-22)13(17)20-14(21-15)16(23)18-7-9-4-5-10(24-2)6-12(9)25-3;1-4-9-12-8(2)5-14(9)10-6-13(3)7-11-10;;/h8-11,13-14H,7,12H2,1-6H3,(H,27,36);6-8H,5H2,1-4H3,(H2,18,27);4-6,8H,7H2,1-3H3,(H,18,23);5-7H,4H2,1-3H3;1H4;1H3/q;;;;;-1.

What are the key properties of carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane?

carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane has a molecular weight of 1464.10 g/mol, XLogP of 8.48, 19 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane is sourced from PubChem (CID 167684619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).