[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol

C20H20FN3O2 — CID 90419511

IUPAC[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=C(CO)CCNC3)cc12
InChIInChI=1S/C20H20FN3O2/c1-26-19-3-2-13(21)8-15(19)14-5-7-23-20-16(14)9-18(24-20)17-10-22-6-4-12(17)11-25/h2-3,5,7-9,22,25H,4,6,10-11H2,1H3,(H,23,24)
InChIKeyWJIJHZIONJMABQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.12
Rot. Bonds4

About [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol

[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol (PubChem CID 90419511) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol.

Molecular Properties

Compound Name[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol
PubChem CID90419511
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=C(CO)CCNC3)cc12
InChIInChI=1S/C20H20FN3O2/c1-26-19-3-2-13(21)8-15(19)14-5-7-23-20-16(14)9-18(24-20)17-10-22-6-4-12(17)11-25/h2-3,5,7-9,22,25H,4,6,10-11H2,1H3,(H,23,24)
InChIKeyWJIJHZIONJMABQ-UHFFFAOYSA-N
XLogP3.12
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol?
The IUPAC name of [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol (CID 90419511) is [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol.
What is the SMILES notation for [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol?
The canonical SMILES for [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C(CO)CCNC3)cc12.
What is the InChIKey of [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol?
The InChIKey is WJIJHZIONJMABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-19-3-2-13(21)8-15(19)14-5-7-23-20-16(14)9-18(24-20)17-10-22-6-4-12(17)11-25/h2-3,5,7-9,22,25H,4,6,10-11H2,1H3,(H,23,24).
What are the key properties of [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol?
[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol has a molecular weight of 353.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,2,3,6-tetrahydropyridin-4-yl]methanol is sourced from PubChem (CID 90419511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).