3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one

C12H15N3O2 — CID 174225933

IUPAC3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one
SMILESCn1cc(N)c2c(=O)n(C3CCOC3)ccc21
InChIInChI=1S/C12H15N3O2/c1-14-6-9(13)11-10(14)2-4-15(12(11)16)8-3-5-17-7-8/h2,4,6,8H,3,5,7,13H2,1H3
InChIKeyRAEPMQBMWDHJDA-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.88
Rot. Bonds1

About 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one

3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one (PubChem CID 174225933) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one
PubChem CID174225933
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one
SMILESCn1cc(N)c2c(=O)n(C3CCOC3)ccc21
InChIInChI=1S/C12H15N3O2/c1-14-6-9(13)11-10(14)2-4-15(12(11)16)8-3-5-17-7-8/h2,4,6,8H,3,5,7,13H2,1H3
InChIKeyRAEPMQBMWDHJDA-UHFFFAOYSA-N
XLogP0.88
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one (CID 174225933) is 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one is Cn1cc(N)c2c(=O)n(C3CCOC3)ccc21.
What is the InChIKey of 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is RAEPMQBMWDHJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-6-9(13)11-10(14)2-4-15(12(11)16)8-3-5-17-7-8/h2,4,6,8H,3,5,7,13H2,1H3.
What are the key properties of 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one?
3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-(oxolan-3-yl)pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 174225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).