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

C25H19N5O — CID 135686893

IUPAC[2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol
SMILESCn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C25H19N5O/c1-30-22-10-9-15(20-13-26-12-16-5-2-3-7-18(16)20)11-19(22)24(29-30)25-27-21-8-4-6-17(14-31)23(21)28-25/h2-13,31H,14H2,1H3,(H,27,28)
InChIKeyHKZWDGOTYRDSCR-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.82
Rot. Bonds3

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

[2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol (PubChem CID 135686893) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol
PubChem CID135686893
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name[2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol
SMILESCn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21
InChIInChI=1S/C25H19N5O/c1-30-22-10-9-15(20-13-26-12-16-5-2-3-7-18(16)20)11-19(22)24(29-30)25-27-21-8-4-6-17(14-31)23(21)28-25/h2-13,31H,14H2,1H3,(H,27,28)
InChIKeyHKZWDGOTYRDSCR-UHFFFAOYSA-N
XLogP4.82
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
[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

Frequently Asked Questions

What is the IUPAC name of [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The IUPAC name of [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol (CID 135686893) is [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol is Cn1nc(-c2nc3c(CO)cccc3[nH]2)c2cc(-c3cncc4ccccc34)ccc21.
What is the InChIKey of [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The InChIKey is HKZWDGOTYRDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-30-22-10-9-15(20-13-26-12-16-5-2-3-7-18(16)20)11-19(22)24(29-30)25-27-21-8-4-6-17(14-31)23(21)28-25/h2-13,31H,14H2,1H3,(H,27,28).
What are the key properties of [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol?
[2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol has a molecular weight of 405.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-isoquinolin-4-yl-1-methylindazol-3-yl)-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 135686893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).