4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol

C21H25FN2O2 — CID 11382721

IUPAC4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2[nH]1
InChIInChI=1S/C21H25FN2O2/c1-20(2,17-10-15(22)5-6-19(17)26-4)13-21(3,25)11-16-9-14-7-8-23-12-18(14)24-16/h5-10,12,24-25H,11,13H2,1-4H3
InChIKeyPZPQWFDLBYRFRX-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.37
Rot. Bonds6

About 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol

4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol (PubChem CID 11382721) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
PubChem CID11382721
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2[nH]1
InChIInChI=1S/C21H25FN2O2/c1-20(2,17-10-15(22)5-6-19(17)26-4)13-21(3,25)11-16-9-14-7-8-23-12-18(14)24-16/h5-10,12,24-25H,11,13H2,1-4H3
InChIKeyPZPQWFDLBYRFRX-UHFFFAOYSA-N
XLogP4.37
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol (CID 11382721) is 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2[nH]1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The InChIKey is PZPQWFDLBYRFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-20(2,17-10-15(22)5-6-19(17)26-4)13-21(3,25)11-16-9-14-7-8-23-12-18(14)24-16/h5-10,12,24-25H,11,13H2,1-4H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol has a molecular weight of 356.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol is sourced from PubChem (CID 11382721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).