8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

C25H23F2N7O — CID 155676957

IUPAC8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(CN(C)C)c1F
InChIInChI=1S/C25H23F2N7O/c1-14-17(9-29-21(23(14)27)13-33(2)3)19-11-31-25(34-12-15(8-28)32-24(19)34)30-10-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,9,11-12H,6-7,10,13H2,1-3H3,(H,30,31)
InChIKeyXMQRHCDCYAICKZ-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.86
Rot. Bonds6

About 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (PubChem CID 155676957) has the molecular formula C25H23F2N7O and a molecular weight of 475.50 g/mol. Its IUPAC name is 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
PubChem CID155676957
Molecular FormulaC25H23F2N7O
Molecular Weight475.50 g/mol
Exact Mass475.19
IUPAC Name8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile
SMILESCc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(CN(C)C)c1F
InChIInChI=1S/C25H23F2N7O/c1-14-17(9-29-21(23(14)27)13-33(2)3)19-11-31-25(34-12-15(8-28)32-24(19)34)30-10-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,9,11-12H,6-7,10,13H2,1-3H3,(H,30,31)
InChIKeyXMQRHCDCYAICKZ-UHFFFAOYSA-N
XLogP3.86
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The IUPAC name of 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile (CID 155676957) is 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is Cc1c(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)cnc(CN(C)C)c1F.
What is the InChIKey of 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
The InChIKey is XMQRHCDCYAICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N7O/c1-14-17(9-29-21(23(14)27)13-33(2)3)19-11-31-25(34-12-15(8-28)32-24(19)34)30-10-18-16-6-7-35-22(16)5-4-20(18)26/h4-5,9,11-12H,6-7,10,13H2,1-3H3,(H,30,31).
What are the key properties of 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile?
8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile has a molecular weight of 475.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[(dimethylamino)methyl]-5-fluoro-4-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155676957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).