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

C15H16ClFN3O+ — CID 58023580

IUPAC1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1[nH]c(Cl)c2c(F)ccc[n+]12
InChIInChI=1S/C15H15ClFN3O/c16-13-12-10(17)2-1-7-20(12)14(19-13)15(21)18-11(8-3-4-8)9-5-6-9/h1-2,7-9,11H,3-6H2,(H,18,21)/p+1
InChIKeyPWXFPJACHDHMJX-UHFFFAOYSA-O
MW308.76 g/mol
LogP2.46
Rot. Bonds4

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

1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023580) has the molecular formula C15H16ClFN3O+ and a molecular weight of 308.76 g/mol. Its IUPAC name is 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023580
Molecular FormulaC15H16ClFN3O+
Molecular Weight308.76 g/mol
Exact Mass308.10
IUPAC Name1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1[nH]c(Cl)c2c(F)ccc[n+]12
InChIInChI=1S/C15H15ClFN3O/c16-13-12-10(17)2-1-7-20(12)14(19-13)15(21)18-11(8-3-4-8)9-5-6-9/h1-2,7-9,11H,3-6H2,(H,18,21)/p+1
InChIKeyPWXFPJACHDHMJX-UHFFFAOYSA-O
XLogP2.46
TPSA48.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.46
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 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023580) is 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is O=C(NC(C1CC1)C1CC1)c1[nH]c(Cl)c2c(F)ccc[n+]12.
What is the InChIKey of 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is PWXFPJACHDHMJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15ClFN3O/c16-13-12-10(17)2-1-7-20(12)14(19-13)15(21)18-11(8-3-4-8)9-5-6-9/h1-2,7-9,11H,3-6H2,(H,18,21)/p+1.
What are the key properties of 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(dicyclopropylmethyl)-8-fluoro-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).