1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

C15H18N4O2 — CID 103196803

IUPAC1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCC2C1CCCN2c1nc2ccccn2c1CO
InChIInChI=1S/C15H18N4O2/c20-9-12-14(17-13-5-1-2-6-18(12)13)19-7-3-4-10-11(19)8-16-15(10)21/h1-2,5-6,10-11,20H,3-4,7-9H2,(H,16,21)
InChIKeyZCOZNKFBVBDZPX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.54
Rot. Bonds2

About 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 103196803) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID103196803
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCC2C1CCCN2c1nc2ccccn2c1CO
InChIInChI=1S/C15H18N4O2/c20-9-12-14(17-13-5-1-2-6-18(12)13)19-7-3-4-10-11(19)8-16-15(10)21/h1-2,5-6,10-11,20H,3-4,7-9H2,(H,16,21)
InChIKeyZCOZNKFBVBDZPX-UHFFFAOYSA-N
XLogP0.54
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one (CID 103196803) is 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is O=C1NCC2C1CCCN2c1nc2ccccn2c1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ZCOZNKFBVBDZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-9-12-14(17-13-5-1-2-6-18(12)13)19-7-3-4-10-11(19)8-16-15(10)21/h1-2,5-6,10-11,20H,3-4,7-9H2,(H,16,21).
What are the key properties of 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one?
1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 286.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 103196803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).