3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline

C112H95N27O — CID 158989814

IUPAC3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cnc2ccccc12.Cc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C
InChIInChI=1S/C24H17N5.2C23H22N6.C21H17N5O.C21H17N5/c1-14-16-6-2-3-7-19(16)25-13-18(14)15-10-11-20-17(12-15)23(29-28-20)24-26-21-8-4-5-9-22(21)27-24;1-14-16(13-29(2)3)11-24-12-18(14)15-8-9-19-17(10-15)22(28-27-19)23-25-20-6-4-5-7-21(20)26-23;1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-12-10-22-11-16(13(12)2)14-7-8-17-15(9-14)20(26-25-17)21-23-18-5-3-4-6-19(18)24-21/h2-13H,1H3,(H,26,27)(H,28,29);4-12H,13H2,1-3H3,(H,25,26)(H,27,28);4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyJQACPRFVDQLJPA-UHFFFAOYSA-N
MW1835.18 g/mol
LogP23.51
Rot. Bonds16

About 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline

3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline (PubChem CID 158989814) has the molecular formula C112H95N27O and a molecular weight of 1835.18 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline
PubChem CID158989814
Molecular FormulaC112H95N27O
Molecular Weight1835.18 g/mol
Exact Mass1833.82
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cnc2ccccc12.Cc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C
InChIInChI=1S/C24H17N5.2C23H22N6.C21H17N5O.C21H17N5/c1-14-16-6-2-3-7-19(16)25-13-18(14)15-10-11-20-17(12-15)23(29-28-20)24-26-21-8-4-5-9-22(21)27-24;1-14-16(13-29(2)3)11-24-12-18(14)15-8-9-19-17(10-15)22(28-27-19)23-25-20-6-4-5-7-21(20)26-23;1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-12-10-22-11-16(13(12)2)14-7-8-17-15(9-14)20(26-25-17)21-23-18-5-3-4-6-19(18)24-21/h2-13H,1H3,(H,26,27)(H,28,29);4-12H,13H2,1-3H3,(H,25,26)(H,27,28);4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyJQACPRFVDQLJPA-UHFFFAOYSA-N
XLogP23.51
TPSA386.75 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.18
LogP ≤ 523.51
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline (CID 158989814) is 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cnc2ccccc12.Cc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline?
The InChIKey is JQACPRFVDQLJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5.2C23H22N6.C21H17N5O.C21H17N5/c1-14-16-6-2-3-7-19(16)25-13-18(14)15-10-11-20-17(12-15)23(29-28-20)24-26-21-8-4-5-9-22(21)27-24;1-14-16(13-29(2)3)11-24-12-18(14)15-8-9-19-17(10-15)22(28-27-19)23-25-20-6-4-5-7-21(20)26-23;1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21;1-12-10-22-11-16(13(12)2)14-7-8-17-15(9-14)20(26-25-17)21-23-18-5-3-4-6-19(18)24-21/h2-13H,1H3,(H,26,27)(H,28,29);4-12H,13H2,1-3H3,(H,25,26)(H,27,28);4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29);2-10,27H,11H2,1H3,(H,23,24)(H,25,26);3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline?
3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline has a molecular weight of 1835.18 g/mol, XLogP of 23.51, 16 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methylquinoline is sourced from PubChem (CID 158989814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).