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

C24H25FN6O3 — CID 138454785

IUPAC[6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCc1cc(-n2cc(C(=O)N3CCO[C@@H](C)C3)c3ccc(O[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1
InChIKeyUTDAGOYVDYQGFI-HOTGVXAUSA-N
MW464.50 g/mol
LogP3.59
Rot. Bonds5

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

[6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 138454785) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID138454785
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name[6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCc1cc(-n2cc(C(=O)N3CCO[C@@H](C)C3)c3ccc(O[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1
InChIKeyUTDAGOYVDYQGFI-HOTGVXAUSA-N
XLogP3.59
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone (CID 138454785) is [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone is Cc1cc(-n2cc(C(=O)N3CCO[C@@H](C)C3)c3ccc(O[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1.
What is the InChIKey of [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is UTDAGOYVDYQGFI-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1.
What are the key properties of [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
[6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 464.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 138454785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).