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5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile

C24H24FN7O2 — CID 155788066

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1nn(C[C@H](C)O)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C24H24FN7O2/c1-13(33)11-32-15(3)22(14(2)30-32)19-10-28-24(31-12-16(8-26)29-23(19)31)27-9-18-17-6-7-34-21(17)5-4-20(18)25/h4-5,10,12-13,33H,6-7,9,11H2,1-3H3,(H,27,28)/t13-/m0/s1
InChIKeyIVAOQLVFWWHVBQ-ZDUSSCGKSA-N
MW461.50 g/mol
LogP3.15
Rot. Bonds6

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155788066) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155788066
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1nn(C[C@H](C)O)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C24H24FN7O2/c1-13(33)11-32-15(3)22(14(2)30-32)19-10-28-24(31-12-16(8-26)29-23(19)31)27-9-18-17-6-7-34-21(17)5-4-20(18)25/h4-5,10,12-13,33H,6-7,9,11H2,1-3H3,(H,27,28)/t13-/m0/s1
InChIKeyIVAOQLVFWWHVBQ-ZDUSSCGKSA-N
XLogP3.15
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-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-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-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-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155788066) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-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-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-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-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1nn(C[C@H](C)O)c(C)c1-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-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is IVAOQLVFWWHVBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-13(33)11-32-15(3)22(14(2)30-32)19-10-28-24(31-12-16(8-26)29-23(19)31)27-9-18-17-6-7-34-21(17)5-4-20(18)25/h4-5,10,12-13,33H,6-7,9,11H2,1-3H3,(H,27,28)/t13-/m0/s1.
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-[1-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 461.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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-[(2S)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155788066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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