5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid

C23H17FN6O2 — CID 139381952

About 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid (PubChem CID 139381952) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid
• PubChem CID: 139381952
• Molecular Formula: C23H17FN6O2
• Molecular Weight: 428.43 g/mol
• Exact Mass: 428.14
• IUPAC Name: 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid
• SMILES: N#Cc1cn2c(NCc3c(F)ccc4c3CCC4)ncc(-c3ccc(C(=O)O)nc3)c2n1
• InChI: InChI=1S/C23H17FN6O2/c24-19-6-4-13-2-1-3-16(13)18(19)11-28-23-27-10-17(21-29-15(8-25)12-30(21)23)14-5-7-20(22(31)32)26-9-14/h4-7,9-10,12H,1-3,11H2,(H,27,28)(H,31,32)
• InChIKey: HUPQBKUJYBIVCF-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 116.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.43
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid?

The IUPAC name of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid (CID 139381952) is 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid is N#Cc1cn2c(NCc3c(F)ccc4c3CCC4)ncc(-c3ccc(C(=O)O)nc3)c2n1.

What is the InChIKey of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid?

The InChIKey is HUPQBKUJYBIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c24-19-6-4-13-2-1-3-16(13)18(19)11-28-23-27-10-17(21-29-15(8-25)12-30(21)23)14-5-7-20(22(31)32)26-9-14/h4-7,9-10,12H,1-3,11H2,(H,27,28)(H,31,32).

What are the key properties of 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid?

5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid has a molecular weight of 428.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyano-5-[(5-fluoro-2,3-dihydro-1H-inden-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 139381952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).