[6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone

C23H23FN6O3 — CID 155538581

IUPAC[6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-n2cc(C(=O)N3CCOCC3)c3ccc(OC(C)c4ccc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C23H23FN6O3/c1-14-11-20(28-27-14)30-13-18(23(31)29-7-9-32-10-8-29)17-4-6-21(26-22(17)30)33-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,27,28)
InChIKeyKZGIESPBRAINHO-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.20
Rot. Bonds5

About [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone

[6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 155538581) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID155538581
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name[6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cc(-n2cc(C(=O)N3CCOCC3)c3ccc(OC(C)c4ccc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C23H23FN6O3/c1-14-11-20(28-27-14)30-13-18(23(31)29-7-9-32-10-8-29)17-4-6-21(26-22(17)30)33-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,27,28)
InChIKeyKZGIESPBRAINHO-UHFFFAOYSA-N
XLogP3.20
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone (CID 155538581) is [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone is Cc1cc(-n2cc(C(=O)N3CCOCC3)c3ccc(OC(C)c4ccc(F)cn4)nc32)n[nH]1.
What is the InChIKey of [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KZGIESPBRAINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-14-11-20(28-27-14)30-13-18(23(31)29-7-9-32-10-8-29)17-4-6-21(26-22(17)30)33-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,27,28).
What are the key properties of [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 450.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155538581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).