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

C26H26FN9O2 — CID 155676915

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCN(C(=O)c2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)n(C)n2)CC1
InChIInChI=1S/C26H26FN9O2/c1-33-6-8-35(9-7-33)25(37)21-11-22(34(2)32-21)19-14-30-26(36-15-16(12-28)31-24(19)36)29-13-18-17-5-10-38-23(17)4-3-20(18)27/h3-4,11,14-15H,5-10,13H2,1-2H3,(H,29,30)
InChIKeyJTCGIKFKCGLAPJ-UHFFFAOYSA-N
MW515.55 g/mol
LogP2.08
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676915) has the molecular formula C26H26FN9O2 and a molecular weight of 515.55 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676915
Molecular FormulaC26H26FN9O2
Molecular Weight515.55 g/mol
Exact Mass515.22
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCN1CCN(C(=O)c2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)n(C)n2)CC1
InChIInChI=1S/C26H26FN9O2/c1-33-6-8-35(9-7-33)25(37)21-11-22(34(2)32-21)19-14-30-26(36-15-16(12-28)31-24(19)36)29-13-18-17-5-10-38-23(17)4-3-20(18)27/h3-4,11,14-15H,5-10,13H2,1-2H3,(H,29,30)
InChIKeyJTCGIKFKCGLAPJ-UHFFFAOYSA-N
XLogP2.08
TPSA116.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676915) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-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-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is CN1CCN(C(=O)c2cc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C#N)nc34)n(C)n2)CC1.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is JTCGIKFKCGLAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN9O2/c1-33-6-8-35(9-7-33)25(37)21-11-22(34(2)32-21)19-14-30-26(36-15-16(12-28)31-24(19)36)29-13-18-17-5-10-38-23(17)4-3-20(18)27/h3-4,11,14-15H,5-10,13H2,1-2H3,(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-methyl-3-(4-methylpiperazine-1-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-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 515.55 g/mol, XLogP of 2.08, 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-(4-methylpiperazine-1-carbonyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).