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

C17H19N5O2 — CID 135962852

IUPAC2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2nc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)CC1
InChIInChI=1S/C17H19N5O2/c1-24-11-4-7-22(8-5-11)17-20-14(9-15(23)21-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)
InChIKeyQHAATMMXBJGPGW-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds3

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

2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (PubChem CID 135962852) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
PubChem CID135962852
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2nc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)CC1
InChIInChI=1S/C17H19N5O2/c1-24-11-4-7-22(8-5-11)17-20-14(9-15(23)21-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)
InChIKeyQHAATMMXBJGPGW-UHFFFAOYSA-N
XLogP1.93
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one (CID 135962852) is 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is COC1CCN(c2nc(-c3c[nH]c4ncccc34)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is QHAATMMXBJGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-11-4-7-22(8-5-11)17-20-14(9-15(23)21-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23).
What are the key properties of 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one?
2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 325.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135962852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).