3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine

C15H21N5O — CID 81140466

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(CC3CN4CCCC4CO3)c2n1
InChIInChI=1S/C15H21N5O/c1-10-4-5-13-14(17-10)20(15(16)18-13)8-12-7-19-6-2-3-11(19)9-21-12/h4-5,11-12H,2-3,6-9H2,1H3,(H2,16,18)
InChIKeySOWPNIBTQVLJNI-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.19
Rot. Bonds2

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81140466) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81140466
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(CC3CN4CCCC4CO3)c2n1
InChIInChI=1S/C15H21N5O/c1-10-4-5-13-14(17-10)20(15(16)18-13)8-12-7-19-6-2-3-11(19)9-21-12/h4-5,11-12H,2-3,6-9H2,1H3,(H2,16,18)
InChIKeySOWPNIBTQVLJNI-UHFFFAOYSA-N
XLogP1.19
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81140466) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(CC3CN4CCCC4CO3)c2n1.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is SOWPNIBTQVLJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-4-5-13-14(17-10)20(15(16)18-13)8-12-7-19-6-2-3-11(19)9-21-12/h4-5,11-12H,2-3,6-9H2,1H3,(H2,16,18).
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81140466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).