(8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide

C19H25N5O2 — CID 18447919

IUPAC(8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILES[H]/N=C(/c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1)N1CCCC1
InChIInChI=1S/C19H25N5O2/c20-16(22-10-3-4-11-22)14-5-7-15(8-6-14)23-13-19(17(21)25)9-1-2-12-24(19)18(23)26/h5-8,20H,1-4,9-13H2,(H2,21,25)/b20-16-/t19-/m1/s1
InChIKeyXEEUTHBNRFMEJN-WDULPBOOSA-N
MW355.44 g/mol
LogP1.76
Rot. Bonds3

About (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide

(8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (PubChem CID 18447919) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide.

Molecular Properties

Compound Name(8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
PubChem CID18447919
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide
SMILES[H]/N=C(/c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1)N1CCCC1
InChIInChI=1S/C19H25N5O2/c20-16(22-10-3-4-11-22)14-5-7-15(8-6-14)23-13-19(17(21)25)9-1-2-12-24(19)18(23)26/h5-8,20H,1-4,9-13H2,(H2,21,25)/b20-16-/t19-/m1/s1
InChIKeyXEEUTHBNRFMEJN-WDULPBOOSA-N
XLogP1.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The IUPAC name of (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide (CID 18447919) is (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide.
What is the SMILES notation for (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The canonical SMILES for (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is [H]/N=C(/c1ccc(N2C[C@@]3(C(N)=O)CCCCN3C2=O)cc1)N1CCCC1.
What is the InChIKey of (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
The InChIKey is XEEUTHBNRFMEJN-WDULPBOOSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-16(22-10-3-4-11-22)14-5-7-15(8-6-14)23-13-19(17(21)25)9-1-2-12-24(19)18(23)26/h5-8,20H,1-4,9-13H2,(H2,21,25)/b20-16-/t19-/m1/s1.
What are the key properties of (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide?
(8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-3-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]-5,6,7,8-tetrahydro-1H-imidazo[1,5-a]pyridine-8a-carboxamide is sourced from PubChem (CID 18447919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).