1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one

C27H26FN5O2 — CID 158293310

IUPAC1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4=O)cc3)c2n1
InChIInChI=1S/C27H26FN5O2/c1-17-15-33-26(31-17)21(19-6-4-18(5-7-19)16-32-11-2-3-25(32)34)13-29-27(33)30-14-22-20-10-12-35-24(20)9-8-23(22)28/h4-9,13,15H,2-3,10-12,14,16H2,1H3,(H,29,30)
InChIKeyAZDVPYPHAYNGLJ-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.51
Rot. Bonds6

About 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 158293310) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID158293310
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4=O)cc3)c2n1
InChIInChI=1S/C27H26FN5O2/c1-17-15-33-26(31-17)21(19-6-4-18(5-7-19)16-32-11-2-3-25(32)34)13-29-27(33)30-14-22-20-10-12-35-24(20)9-8-23(22)28/h4-9,13,15H,2-3,10-12,14,16H2,1H3,(H,29,30)
InChIKeyAZDVPYPHAYNGLJ-UHFFFAOYSA-N
XLogP4.51
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

Mak-683
CID 121412508
8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
Mbm-55
CID 137636872
N-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
CID 156340524
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
5-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-N-methyl-8-N-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
CID 162368300
US11091495, Example 228
CID 152324986
trans-3-(8-Amino-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-3-yl)cyclobutanecarboxamide
CID 11269934
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
trans-4-(8-Amino-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-3-yl)cyclohexanecarboxamide
CID 11385175
trans-4-(8-amino-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-3-yl)-N-methylcyclohexanecarboxamide
CID 11408442

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one (CID 158293310) is 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CCCC4=O)cc3)c2n1.
What is the InChIKey of 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is AZDVPYPHAYNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-17-15-33-26(31-17)21(19-6-4-18(5-7-19)16-32-11-2-3-25(32)34)13-29-27(33)30-14-22-20-10-12-35-24(20)9-8-23(22)28/h4-9,13,15H,2-3,10-12,14,16H2,1H3,(H,29,30).
What are the key properties of 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 471.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 158293310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).