7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile

C24H22FN9O — CID 164921111

About 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile

7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile (PubChem CID 164921111) has the molecular formula C24H22FN9O and a molecular weight of 471.50 g/mol. Its IUPAC name is 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile.

Molecular Properties

• Compound Name: 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile
• PubChem CID: 164921111
• Molecular Formula: C24H22FN9O
• Molecular Weight: 471.50 g/mol
• Exact Mass: 471.19
• IUPAC Name: 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile
• SMILES: Cc1c(-c2cc3ncc(C#N)n3c(O[C@H](C)c3ccc(F)cn3)n2)cnn1C1CCN(C#N)CC1
• InChI: InChI=1S/C24H22FN9O/c1-15-20(13-30-34(15)18-5-7-32(14-27)8-6-18)22-9-23-29-12-19(10-26)33(23)24(31-22)35-16(2)21-4-3-17(25)11-28-21/h3-4,9,11-13,16,18H,5-8H2,1-2H3/t16-/m1/s1
• InChIKey: XJIODCIVFOFKQA-MRXNPFEDSA-N
• XLogP: 3.56
• TPSA: 120.95 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.50
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile?

The IUPAC name of 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile (CID 164921111) is 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile.

What is the SMILES notation for 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile?

The canonical SMILES for 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile is Cc1c(-c2cc3ncc(C#N)n3c(O[C@H](C)c3ccc(F)cn3)n2)cnn1C1CCN(C#N)CC1.

What is the InChIKey of 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile?

The InChIKey is XJIODCIVFOFKQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22FN9O/c1-15-20(13-30-34(15)18-5-7-32(14-27)8-6-18)22-9-23-29-12-19(10-26)33(23)24(31-22)35-16(2)21-4-3-17(25)11-28-21/h3-4,9,11-13,16,18H,5-8H2,1-2H3/t16-/m1/s1.

What are the key properties of 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile?

7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile has a molecular weight of 471.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-c]pyrimidine-3-carbonitrile is sourced from PubChem (CID 164921111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).