N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C17H20FN3O — CID 70782369

IUPACN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)c(F)n12
InChIInChI=1S/C17H20FN3O/c1-10-4-2-7-14-20-15(16(18)21(10)14)17(22)19-13-9-8-11-5-3-6-12(11)13/h2,4,7,11-13H,3,5-6,8-9H2,1H3,(H,19,22)/t11-,12-,13-/m0/s1
InChIKeyWTYGBRRJDKEBCU-AVGNSLFASA-N
MW301.36 g/mol
LogP3.09
Rot. Bonds2

About N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 70782369) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID70782369
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)c(F)n12
InChIInChI=1S/C17H20FN3O/c1-10-4-2-7-14-20-15(16(18)21(10)14)17(22)19-13-9-8-11-5-3-6-12(11)13/h2,4,7,11-13H,3,5-6,8-9H2,1H3,(H,19,22)/t11-,12-,13-/m0/s1
InChIKeyWTYGBRRJDKEBCU-AVGNSLFASA-N
XLogP3.09
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 70782369) is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)c(F)n12.
What is the InChIKey of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WTYGBRRJDKEBCU-AVGNSLFASA-N. The full InChI is InChI=1S/C17H20FN3O/c1-10-4-2-7-14-20-15(16(18)21(10)14)17(22)19-13-9-8-11-5-3-6-12(11)13/h2,4,7,11-13H,3,5-6,8-9H2,1H3,(H,19,22)/t11-,12-,13-/m0/s1.
What are the key properties of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 70782369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).