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

C44H39N11O — CID 158409085

IUPAC1-[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
SMILESCc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C23H22N6.C21H17N5O/c1-14-16(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;1-12-14(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/h4-12H,13H2,1-3H3,(H,25,26)(H,27,28);2-10,27H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyGZBNPJZVUOMSAU-UHFFFAOYSA-N
MW737.87 g/mol
LogP8.51
Rot. Bonds7

About 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

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 (PubChem CID 158409085) has the molecular formula C44H39N11O and a molecular weight of 737.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158409085
Molecular FormulaC44H39N11O
Molecular Weight737.87 g/mol
Exact Mass737.33
IUPAC Name1-[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
SMILESCc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C23H22N6.C21H17N5O/c1-14-16(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;1-12-14(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/h4-12H,13H2,1-3H3,(H,25,26)(H,27,28);2-10,27H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyGZBNPJZVUOMSAU-UHFFFAOYSA-N
XLogP8.51
TPSA163.97 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.87
LogP ≤ 58.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridin-3-yl]methanol
CID 146597504
Indazole-benzimidazole, 5
CID 135928473
(2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methanol
CID 135497853
3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 135497881
(6-(1H-indazol-4-ylamino)-5-(2-methyl-9H-purin-6-yl)pyridin-3-yl)methanol
CID 49785169
US10544143, Example 306
CID 138687034
N-[[4-methyl-5-[3-[6-(propan-2-yloxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136086932
US10071079, Example 470
CID 132272337
US10071079, Example 491
CID 132272356
US10071079, Example 495
CID 132272359
US10071079, Example 497
CID 132272362
US10071079, Example 502
CID 132272367

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158409085) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(CN(C)C)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 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?
The InChIKey is GZBNPJZVUOMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6.C21H17N5O/c1-14-16(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;1-12-14(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/h4-12H,13H2,1-3H3,(H,25,26)(H,27,28);2-10,27H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 737.87 g/mol, XLogP of 8.51, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158409085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).