5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C25H23FN8O3 — CID 155676935

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676935) has the molecular formula C25H23FN8O3 and a molecular weight of 502.51 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• PubChem CID: 155676935
• Molecular Formula: C25H23FN8O3
• Molecular Weight: 502.51 g/mol
• Exact Mass: 502.19
• IUPAC Name: 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
• SMILES: Cn1nc(C(=O)N2CCOCC2)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
• InChI: InChI=1S/C25H23FN8O3/c1-32-21(10-20(31-32)24(35)33-5-8-36-9-6-33)18-13-29-25(34-14-15(11-27)30-23(18)34)28-12-17-16-4-7-37-22(16)3-2-19(17)26/h2-3,10,13-14H,4-9,12H2,1H3,(H,28,29)
• InChIKey: DMGKYKIBWJRSOF-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 122.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676935) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is Cn1nc(C(=O)N2CCOCC2)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12.

What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

The InChIKey is DMGKYKIBWJRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O3/c1-32-21(10-20(31-32)24(35)33-5-8-36-9-6-33)18-13-29-25(34-14-15(11-27)30-23(18)34)28-12-17-16-4-7-37-22(16)3-2-19(17)26/h2-3,10,13-14H,4-9,12H2,1H3,(H,28,29).

What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 502.51 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).