8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C21H17ClFN5O — CID 158723029

IUPAC8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccc3Cl)c2n1
InChIInChI=1S/C21H17ClFN5O/c1-12-11-28-20(27-12)16(14-8-24-6-4-17(14)22)10-26-21(28)25-9-15-13-5-7-29-19(13)3-2-18(15)23/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26)
InChIKeyKQUWKYVBFGPXTD-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.44
Rot. Bonds4

About 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 158723029) has the molecular formula C21H17ClFN5O and a molecular weight of 409.85 g/mol. Its IUPAC name is 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID158723029
Molecular FormulaC21H17ClFN5O
Molecular Weight409.85 g/mol
Exact Mass409.11
IUPAC Name8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccc3Cl)c2n1
InChIInChI=1S/C21H17ClFN5O/c1-12-11-28-20(27-12)16(14-8-24-6-4-17(14)22)10-26-21(28)25-9-15-13-5-7-29-19(13)3-2-18(15)23/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26)
InChIKeyKQUWKYVBFGPXTD-UHFFFAOYSA-N
XLogP4.44
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
CID 160596399
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 159024692
8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 159428604
8-(2,5-dimethylpyrazol-3-yl)-N-[(6-fluoro-3,4-dihydro-2H-chromen-5-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 157085020
8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane
CID 176698617
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidine-2-carboxamide
CID 155676996
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-pyrazin-2-ylimidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788004
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine
CID 164935018
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432883
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(1H-pyrazol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 155788027
8-(2,4-dichlorophenyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 121432853
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyano-8-(2-propylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 157296729

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 158723029) is 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccc3Cl)c2n1.
What is the InChIKey of 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is KQUWKYVBFGPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O/c1-12-11-28-20(27-12)16(14-8-24-6-4-17(14)22)10-26-21(28)25-9-15-13-5-7-29-19(13)3-2-18(15)23/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26).
What are the key properties of 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 409.85 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 158723029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).