sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide

C23H23FN5NaO — CID 171801031

IUPACsodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide
SMILESCOc1cccc(F)c1-c1ccc(NC2CCCC2)nc1.[Na+].[c-]1nc2cccnc2[nH]1
InChIInChI=1S/C17H19FN2O.C6H4N3.Na/c1-21-15-8-4-7-14(18)17(15)12-9-10-16(19-11-12)20-13-5-2-3-6-13;1-2-5-6(7-3-1)9-4-8-5;/h4,7-11,13H,2-3,5-6H2,1H3,(H,19,20);1-3H,(H,7,8,9);/q;-1;+1
InChIKeySPNXEHYKABSWRB-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.01
Rot. Bonds4

About sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide

sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide (PubChem CID 171801031) has the molecular formula C23H23FN5NaO and a molecular weight of 427.46 g/mol. Its IUPAC name is sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide.

Molecular Properties

Compound Namesodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide
PubChem CID171801031
Molecular FormulaC23H23FN5NaO
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Namesodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide
SMILESCOc1cccc(F)c1-c1ccc(NC2CCCC2)nc1.[Na+].[c-]1nc2cccnc2[nH]1
InChIInChI=1S/C17H19FN2O.C6H4N3.Na/c1-21-15-8-4-7-14(18)17(15)12-9-10-16(19-11-12)20-13-5-2-3-6-13;1-2-5-6(7-3-1)9-4-8-5;/h4,7-11,13H,2-3,5-6H2,1H3,(H,19,20);1-3H,(H,7,8,9);/q;-1;+1
InChIKeySPNXEHYKABSWRB-UHFFFAOYSA-N
XLogP2.01
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide?
The IUPAC name of sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide (CID 171801031) is sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide.
What is the SMILES notation for sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide?
The canonical SMILES for sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide is COc1cccc(F)c1-c1ccc(NC2CCCC2)nc1.[Na+].[c-]1nc2cccnc2[nH]1.
What is the InChIKey of sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide?
The InChIKey is SPNXEHYKABSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O.C6H4N3.Na/c1-21-15-8-4-7-14(18)17(15)12-9-10-16(19-11-12)20-13-5-2-3-6-13;1-2-5-6(7-3-1)9-4-8-5;/h4,7-11,13H,2-3,5-6H2,1H3,(H,19,20);1-3H,(H,7,8,9);/q;-1;+1.
What are the key properties of sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide?
sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide has a molecular weight of 427.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyridin-2-amine;2,3-dihydroimidazo[4,5-b]pyridin-2-ide is sourced from PubChem (CID 171801031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).