5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C11H8N4O — CID 101123211

IUPAC5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3cncnc3)cnc2N1
InChIInChI=1S/C11H8N4O/c16-10-2-7-1-8(5-14-11(7)15-10)9-3-12-6-13-4-9/h1,3-6H,2H2,(H,14,15,16)
InChIKeyFUMOIHGFKYUCKO-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.03
Rot. Bonds1

About 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 101123211) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID101123211
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3cncnc3)cnc2N1
InChIInChI=1S/C11H8N4O/c16-10-2-7-1-8(5-14-11(7)15-10)9-3-12-6-13-4-9/h1,3-6H,2H2,(H,14,15,16)
InChIKeyFUMOIHGFKYUCKO-UHFFFAOYSA-N
XLogP1.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dimethyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 10014479
6-Methyl-5-pyridin-4-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 10398747
2-methyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]propanamide
CID 1488506
N-[2-(4-pyridinyl)-4-pyrimidinyl]cyclopropanecarboxamide
CID 1488509
N-[2-(3-pyridinyl)-4-pyrimidinyl]propanamide
CID 1488512
3-methyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]benzenecarboxamide
CID 1477556
5-phenyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CID 15504063
N-(3-(2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)acrylamide
CID 86300420
6-[5-(5-oxopyrrolidin-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667176
5-[5-(2-Morpholin-4-yl-2-oxoethyl)-3-pyridinyl]-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
CID 117667668
3-methyl-N-[2-(4-pyridinyl)-4-pyrimidinyl]butanamide
CID 1488507
N-[2-(3-pyridinyl)-4-pyrimidinyl]acetamide
CID 1488501

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 101123211) is 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cc(-c3cncnc3)cnc2N1.
What is the InChIKey of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is FUMOIHGFKYUCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-10-2-7-1-8(5-14-11(7)15-10)9-3-12-6-13-4-9/h1,3-6H,2H2,(H,14,15,16).
What are the key properties of 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 212.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 101123211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).