[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol

C24H17N5O — CID 135469457

IUPAC[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
SMILESOCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12
InChIInChI=1S/C24H17N5O/c30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19/h1-12,30H,13H2,(H,26,27)(H,28,29)
InChIKeySPULOGHMAFFFQS-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.81
Rot. Bonds3

About [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol

[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol (PubChem CID 135469457) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
PubChem CID135469457
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC Name[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
SMILESOCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12
InChIInChI=1S/C24H17N5O/c30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19/h1-12,30H,13H2,(H,26,27)(H,28,29)
InChIKeySPULOGHMAFFFQS-UHFFFAOYSA-N
XLogP4.81
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
[3-(aminomethyl)-4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methanol
CID 21985074
[1-[(2,5-Dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol
CID 72700327
2-(((5-(3-(1H-benzo[d]imidazol-2-yl)-1H-indazol-5-yl)-4-methylpyridin-3-yl)methyl)amino)ethan-1-ol
CID 135433080
(5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)-N-methylmethanamine
CID 135497791
N-((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylpyridin-3-yl)methyl)ethanamine
CID 135497794
3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(pyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 135497800
N-((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)propan-1-amine
CID 135497814
(2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methanol
CID 135497853
4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497854

Frequently Asked Questions

What is the IUPAC name of [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The IUPAC name of [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol (CID 135469457) is [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol is OCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.
What is the InChIKey of [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The InChIKey is SPULOGHMAFFFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19/h1-12,30H,13H2,(H,26,27)(H,28,29).
What are the key properties of [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol has a molecular weight of 391.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 135469457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).