N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide

About N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide (PubChem CID 58158543) has the molecular formula C30H23F2N5O4 and a molecular weight of 555.54 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide.

Molecular Properties

Compound Name	N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide
PubChem CID	58158543
Molecular Formula	C30H23F2N5O4
Molecular Weight	555.54 g/mol
Exact Mass	555.17
IUPAC Name	N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide
SMILES	Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)[n+]([O-])c1-c1cccc(F)c1
InChI	InChI=1S/C30H23F2N5O4/c1-17-5-10-24(37(40)28(17)19-3-2-4-20(31)13-19)30(39)33-21-8-11-25(23(32)14-21)41-22-9-12-27-34-26(16-36(27)15-22)35-29(38)18-6-7-18/h2-5,8-16,18H,6-7H2,1H3,(H,33,39)(H,35,38)
InChIKey	CIRHPCDRZPZYSA-UHFFFAOYSA-N
XLogP	5.61
TPSA	111.67 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.54
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide?

The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide (CID 58158543) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide.

What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide?

The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)[n+]([O-])c1-c1cccc(F)c1.

What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide?

The InChIKey is CIRHPCDRZPZYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N5O4/c1-17-5-10-24(37(40)28(17)19-3-2-4-20(31)13-19)30(39)33-21-8-11-25(23(32)14-21)41-22-9-12-27-34-26(16-36(27)15-22)35-29(38)18-6-7-18/h2-5,8-16,18H,6-7H2,1H3,(H,33,39)(H,35,38).

What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide?

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide has a molecular weight of 555.54 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-6-(3-fluorophenyl)-5-methyl-1-oxidopyridin-1-ium-2-carboxamide is sourced from PubChem (CID 58158543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).