7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C16H19N3O — CID 69181090

IUPAC7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCC(C)C1CNC(=O)c2cc(-c3ccncc3)[nH]c21
InChIInChI=1S/C16H19N3O/c1-3-10(2)13-9-18-16(20)12-8-14(19-15(12)13)11-4-6-17-7-5-11/h4-8,10,13,19H,3,9H2,1-2H3,(H,18,20)
InChIKeyCWMGIWOUXQYEET-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds3

About 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 69181090) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID69181090
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCC(C)C1CNC(=O)c2cc(-c3ccncc3)[nH]c21
InChIInChI=1S/C16H19N3O/c1-3-10(2)13-9-18-16(20)12-8-14(19-15(12)13)11-4-6-17-7-5-11/h4-8,10,13,19H,3,9H2,1-2H3,(H,18,20)
InChIKeyCWMGIWOUXQYEET-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 69181090) is 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCC(C)C1CNC(=O)c2cc(-c3ccncc3)[nH]c21.
What is the InChIKey of 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CWMGIWOUXQYEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-10(2)13-9-18-16(20)12-8-14(19-15(12)13)11-4-6-17-7-5-11/h4-8,10,13,19H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 269.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 69181090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).