(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol

C15H13N5O — CID 95205037

IUPAC(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol
SMILESC[C@@H](O)c1nc2ccc(-n3ncc4cccnc43)cc2[nH]1
InChIInChI=1S/C15H13N5O/c1-9(21)14-18-12-5-4-11(7-13(12)19-14)20-15-10(8-17-20)3-2-6-16-15/h2-9,21H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyGXYNSKGNTJYOPN-SECBINFHSA-N
MW279.30 g/mol
LogP2.35
Rot. Bonds2

About (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol

(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol (PubChem CID 95205037) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol
PubChem CID95205037
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol
SMILESC[C@@H](O)c1nc2ccc(-n3ncc4cccnc43)cc2[nH]1
InChIInChI=1S/C15H13N5O/c1-9(21)14-18-12-5-4-11(7-13(12)19-14)20-15-10(8-17-20)3-2-6-16-15/h2-9,21H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyGXYNSKGNTJYOPN-SECBINFHSA-N
XLogP2.35
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol
CID 50965231
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
CID 95188258
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 168512602
1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 141324594
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
[5-amino-1-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
CID 66555065
2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
CID 168516683
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol (CID 95205037) is (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol is C[C@@H](O)c1nc2ccc(-n3ncc4cccnc43)cc2[nH]1.
What is the InChIKey of (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is GXYNSKGNTJYOPN-SECBINFHSA-N. The full InChI is InChI=1S/C15H13N5O/c1-9(21)14-18-12-5-4-11(7-13(12)19-14)20-15-10(8-17-20)3-2-6-16-15/h2-9,21H,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol?
(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 279.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 95205037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).