N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide

C18H21ClN4O2 — CID 171598112

IUPACN-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CC1CN(C=O)C2)c1ncc2c(Cl)cccn12
InChIInChI=1S/C18H21ClN4O2/c1-18(2,17-20-7-14-13(19)4-3-5-23(14)17)21-16(25)15-11-6-12(15)9-22(8-11)10-24/h3-5,7,10-12,15H,6,8-9H2,1-2H3,(H,21,25)
InChIKeyMWLXELIEDIHENQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide

N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 171598112) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID171598112
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCC(C)(NC(=O)C1C2CC1CN(C=O)C2)c1ncc2c(Cl)cccn12
InChIInChI=1S/C18H21ClN4O2/c1-18(2,17-20-7-14-13(19)4-3-5-23(14)17)21-16(25)15-11-6-12(15)9-22(8-11)10-24/h3-5,7,10-12,15H,6,8-9H2,1-2H3,(H,21,25)
InChIKeyMWLXELIEDIHENQ-UHFFFAOYSA-N
XLogP2.06
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide 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 N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide (CID 171598112) is N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide is CC(C)(NC(=O)C1C2CC1CN(C=O)C2)c1ncc2c(Cl)cccn12.
What is the InChIKey of N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is MWLXELIEDIHENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-18(2,17-20-7-14-13(19)4-3-5-23(14)17)21-16(25)15-11-6-12(15)9-22(8-11)10-24/h3-5,7,10-12,15H,6,8-9H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide?
N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-formyl-3-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 171598112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).