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

C24H19F3N4O3 — CID 59699857

IUPACmorpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1)N1CCOCC1
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)34-21-4-2-1-3-18(21)20-14-30-22-19(20)10-16(13-29-22)15-9-17(12-28-11-15)23(32)31-5-7-33-8-6-31/h1-4,9-14H,5-8H2,(H,29,30)
InChIKeyFMLGRLNZIOMLQX-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.66
Rot. Bonds4

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

morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone (PubChem CID 59699857) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
PubChem CID59699857
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Namemorpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1)N1CCOCC1
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)34-21-4-2-1-3-18(21)20-14-30-22-19(20)10-16(13-29-22)15-9-17(12-28-11-15)23(32)31-5-7-33-8-6-31/h1-4,9-14H,5-8H2,(H,29,30)
InChIKeyFMLGRLNZIOMLQX-UHFFFAOYSA-N
XLogP4.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone (CID 59699857) is morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone is O=C(c1cncc(-c2cnc3[nH]cc(-c4ccccc4OC(F)(F)F)c3c2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The InChIKey is FMLGRLNZIOMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c25-24(26,27)34-21-4-2-1-3-18(21)20-14-30-22-19(20)10-16(13-29-22)15-9-17(12-28-11-15)23(32)31-5-7-33-8-6-31/h1-4,9-14H,5-8H2,(H,29,30).
What are the key properties of morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone has a molecular weight of 468.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 59699857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).