6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C20H18F3N5O2 — CID 134807855

IUPAC6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(N3CCOCC3)nc(-c3cnc4[nH]ccc4c3)c2CN1CC(F)(F)F
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)11-28-10-15-14(19(28)29)8-16(27-3-5-30-6-4-27)26-17(15)13-7-12-1-2-24-18(12)25-9-13/h1-2,7-9H,3-6,10-11H2,(H,24,25)
InChIKeyJUJZAHNGYHDEJW-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.98
Rot. Bonds3

About 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134807855) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134807855
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(N3CCOCC3)nc(-c3cnc4[nH]ccc4c3)c2CN1CC(F)(F)F
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)11-28-10-15-14(19(28)29)8-16(27-3-5-30-6-4-27)26-17(15)13-7-12-1-2-24-18(12)25-9-13/h1-2,7-9H,3-6,10-11H2,(H,24,25)
InChIKeyJUJZAHNGYHDEJW-UHFFFAOYSA-N
XLogP2.98
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134807855) is 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2cc(N3CCOCC3)nc(-c3cnc4[nH]ccc4c3)c2CN1CC(F)(F)F.
What is the InChIKey of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is JUJZAHNGYHDEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c21-20(22,23)11-28-10-15-14(19(28)29)8-16(27-3-5-30-6-4-27)26-17(15)13-7-12-1-2-24-18(12)25-9-13/h1-2,7-9H,3-6,10-11H2,(H,24,25).
What are the key properties of 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 417.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(2,2,2-trifluoroethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134807855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).