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

C15H15N5O2 — CID 135962844

IUPAC2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C15H15N5O2/c21-13-8-12(11-9-17-14-10(11)2-1-3-16-14)18-15(19-13)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)
InChIKeyFRDFKOJJHUCJPP-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.15
Rot. Bonds2

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

2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 135962844) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID135962844
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C15H15N5O2/c21-13-8-12(11-9-17-14-10(11)2-1-3-16-14)18-15(19-13)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)
InChIKeyFRDFKOJJHUCJPP-UHFFFAOYSA-N
XLogP1.15
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (CID 135962844) is 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is O=c1cc(-c2c[nH]c3ncccc23)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is FRDFKOJJHUCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-13-8-12(11-9-17-14-10(11)2-1-3-16-14)18-15(19-13)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21).
What are the key properties of 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 297.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135962844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).