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

C22H17FN6O — CID 155676929

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C22H17FN6O/c1-13-15(3-2-7-25-13)18-11-27-22(29-12-14(9-24)28-21(18)29)26-10-17-16-6-8-30-20(16)5-4-19(17)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)
InChIKeyWWHYMSGEEGSWLY-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.66
Rot. Bonds4

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

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676929) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676929
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12
InChIInChI=1S/C22H17FN6O/c1-13-15(3-2-7-25-13)18-11-27-22(29-12-14(9-24)28-21(18)29)26-10-17-16-6-8-30-20(16)5-4-19(17)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)
InChIKeyWWHYMSGEEGSWLY-UHFFFAOYSA-N
XLogP3.66
TPSA88.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676929) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1ncccc1-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-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is WWHYMSGEEGSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-13-15(3-2-7-25-13)18-11-27-22(29-12-14(9-24)28-21(18)29)26-10-17-16-6-8-30-20(16)5-4-19(17)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 400.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).