[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone

C23H19FN4O2 — CID 90313518

IUPAC[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1
InChIInChI=1S/C23H19FN4O2/c24-20-13-15(3-4-18(20)17-12-16-5-7-26-22(16)27-14-17)19-2-1-6-25-21(19)23(29)28-8-10-30-11-9-28/h1-7,12-14H,8-11H2,(H,26,27)
InChIKeyWGYIXWOYVJDJCL-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.90
Rot. Bonds3

About [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone

[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 90313518) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID90313518
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1
InChIInChI=1S/C23H19FN4O2/c24-20-13-15(3-4-18(20)17-12-16-5-7-26-22(16)27-14-17)19-2-1-6-25-21(19)23(29)28-8-10-30-11-9-28/h1-7,12-14H,8-11H2,(H,26,27)
InChIKeyWGYIXWOYVJDJCL-UHFFFAOYSA-N
XLogP3.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 90313518) is [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1.
What is the InChIKey of [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is WGYIXWOYVJDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-20-13-15(3-4-18(20)17-12-16-5-7-26-22(16)27-14-17)19-2-1-6-25-21(19)23(29)28-8-10-30-11-9-28/h1-7,12-14H,8-11H2,(H,26,27).
What are the key properties of [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone?
[3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 402.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 90313518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).