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

C20H20FN3O2 — CID 90420640

IUPAC4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1c(OC)cnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C20H20FN3O2/c1-25-17-4-3-13(21)9-14(17)19-15-10-16(12-5-7-22-8-6-12)24-20(15)23-11-18(19)26-2/h3-5,9-11,22H,6-8H2,1-2H3,(H,23,24)
InChIKeyPSBOBHZYVDTMRM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.76
Rot. Bonds4

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

4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90420640) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90420640
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(F)cc1-c1c(OC)cnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C20H20FN3O2/c1-25-17-4-3-13(21)9-14(17)19-15-10-16(12-5-7-22-8-6-12)24-20(15)23-11-18(19)26-2/h3-5,9-11,22H,6-8H2,1-2H3,(H,23,24)
InChIKeyPSBOBHZYVDTMRM-UHFFFAOYSA-N
XLogP3.76
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90420640) is 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(F)cc1-c1c(OC)cnc2[nH]c(C3=CCNCC3)cc12.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PSBOBHZYVDTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-25-17-4-3-13(21)9-14(17)19-15-10-16(12-5-7-22-8-6-12)24-20(15)23-11-18(19)26-2/h3-5,9-11,22H,6-8H2,1-2H3,(H,23,24).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 353.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-5-methoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90420640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).