[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol

C17H17FN2O — CID 14994383

IUPAC[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESCC(C)c1nc2[nH]ccc2c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C17H17FN2O/c1-10(2)16-14(9-21)15(11-3-5-12(18)6-4-11)13-7-8-19-17(13)20-16/h3-8,10,21H,9H2,1-2H3,(H,19,20)
InChIKeyXQKVAJSGXXVRRU-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.98
Rot. Bonds3

About [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol

[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol (PubChem CID 14994383) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol
PubChem CID14994383
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol
SMILESCC(C)c1nc2[nH]ccc2c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C17H17FN2O/c1-10(2)16-14(9-21)15(11-3-5-12(18)6-4-11)13-7-8-19-17(13)20-16/h3-8,10,21H,9H2,1-2H3,(H,19,20)
InChIKeyXQKVAJSGXXVRRU-UHFFFAOYSA-N
XLogP3.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol (CID 14994383) is [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol is CC(C)c1nc2[nH]ccc2c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol?
The InChIKey is XQKVAJSGXXVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10(2)16-14(9-21)15(11-3-5-12(18)6-4-11)13-7-8-19-17(13)20-16/h3-8,10,21H,9H2,1-2H3,(H,19,20).
What are the key properties of [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol?
[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol has a molecular weight of 284.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]methanol is sourced from PubChem (CID 14994383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).