4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol

C19H20FN3O2 — CID 90413153

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CCNCC3)cc12
InChIInChI=1S/C19H20FN3O2/c1-25-16-3-2-12(20)10-14(16)13-4-7-22-18-15(13)11-17(23-18)19(24)5-8-21-9-6-19/h2-4,7,10-11,21,24H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyDGWKMZJFPLZNFJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.95
Rot. Bonds3

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol (PubChem CID 90413153) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol
PubChem CID90413153
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CCNCC3)cc12
InChIInChI=1S/C19H20FN3O2/c1-25-16-3-2-12(20)10-14(16)13-4-7-22-18-15(13)11-17(23-18)19(24)5-8-21-9-6-19/h2-4,7,10-11,21,24H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyDGWKMZJFPLZNFJ-UHFFFAOYSA-N
XLogP2.95
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol (CID 90413153) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CCNCC3)cc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol?
The InChIKey is DGWKMZJFPLZNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-25-16-3-2-12(20)10-14(16)13-4-7-22-18-15(13)11-17(23-18)19(24)5-8-21-9-6-19/h2-4,7,10-11,21,24H,5-6,8-9H2,1H3,(H,22,23).
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol?
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol has a molecular weight of 341.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-4-ol is sourced from PubChem (CID 90413153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).