N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

C15H17FN3O+ — CID 58023691

IUPACN-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1[nH]cc2c(F)ccc[n+]12
InChIInChI=1S/C15H16FN3O/c16-11-2-1-7-19-12(11)8-17-14(19)15(20)18-13(9-3-4-9)10-5-6-10/h1-2,7-10,13H,3-6H2,(H,18,20)/p+1
InChIKeyGIOKIZOECDDEGW-UHFFFAOYSA-O
MW274.32 g/mol
LogP1.81
Rot. Bonds4

About N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide

N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023691) has the molecular formula C15H17FN3O+ and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023691
Molecular FormulaC15H17FN3O+
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1[nH]cc2c(F)ccc[n+]12
InChIInChI=1S/C15H16FN3O/c16-11-2-1-7-19-12(11)8-17-14(19)15(20)18-13(9-3-4-9)10-5-6-10/h1-2,7-10,13H,3-6H2,(H,18,20)/p+1
InChIKeyGIOKIZOECDDEGW-UHFFFAOYSA-O
XLogP1.81
TPSA48.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023691) is N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is O=C(NC(C1CC1)C1CC1)c1[nH]cc2c(F)ccc[n+]12.
What is the InChIKey of N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is GIOKIZOECDDEGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16FN3O/c16-11-2-1-7-19-12(11)8-17-14(19)15(20)18-13(9-3-4-9)10-5-6-10/h1-2,7-10,13H,3-6H2,(H,18,20)/p+1.
What are the key properties of N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).