[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C23H19FN4O3 — CID 59803839

IUPAC[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESCOc1cc(C(O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H19FN4O3/c1-30-19-9-14(22(29)15-11-26-23-13(15)5-4-8-25-23)16(24)10-20(19)31-12-21-27-17-6-2-3-7-18(17)28-21/h2-11,22,29H,12H2,1H3,(H,25,26)(H,27,28)
InChIKeyAXAPNDQGJIJCNG-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.25
Rot. Bonds6

About [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 59803839) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID59803839
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESCOc1cc(C(O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H19FN4O3/c1-30-19-9-14(22(29)15-11-26-23-13(15)5-4-8-25-23)16(24)10-20(19)31-12-21-27-17-6-2-3-7-18(17)28-21/h2-11,22,29H,12H2,1H3,(H,25,26)(H,27,28)
InChIKeyAXAPNDQGJIJCNG-UHFFFAOYSA-N
XLogP4.25
TPSA96.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 59803839) is [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is COc1cc(C(O)c2c[nH]c3ncccc23)c(F)cc1OCc1nc2ccccc2[nH]1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is AXAPNDQGJIJCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-30-19-9-14(22(29)15-11-26-23-13(15)5-4-8-25-23)16(24)10-20(19)31-12-21-27-17-6-2-3-7-18(17)28-21/h2-11,22,29H,12H2,1H3,(H,25,26)(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 418.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 59803839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).