8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C49H48F5N11O2 — CID 157298454

IUPAC8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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(-c3cc(F)c(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(CN(C)C)c(F)c3)c2n1
InChIInChI=1S/C25H24F3N5O.C24H24F2N6O/c1-14-12-33-24(31-14)19(17-9-21(27)15(8-22(17)28)13-32(2)3)11-30-25(33)29-10-18-16-6-7-34-23(16)5-4-20(18)26;1-14-12-32-23(30-14)17(15-8-20(26)21(27-9-15)13-31(2)3)10-28-24(32)29-11-18-16-6-7-33-22(16)5-4-19(18)25/h4-5,8-9,11-12H,6-7,10,13H2,1-3H3,(H,29,30);4-5,8-10,12H,6-7,11,13H2,1-3H3,(H,28,29)
InChIKeyBBPPQTCOFGOQAF-UHFFFAOYSA-N
MW917.99 g/mol
LogP8.72
Rot. Bonds12

About 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157298454) has the molecular formula C49H48F5N11O2 and a molecular weight of 917.99 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID157298454
Molecular FormulaC49H48F5N11O2
Molecular Weight917.99 g/mol
Exact Mass917.39
IUPAC Name8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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(-c3cc(F)c(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(CN(C)C)c(F)c3)c2n1
InChIInChI=1S/C25H24F3N5O.C24H24F2N6O/c1-14-12-33-24(31-14)19(17-9-21(27)15(8-22(17)28)13-32(2)3)11-30-25(33)29-10-18-16-6-7-34-23(16)5-4-20(18)26;1-14-12-32-23(30-14)17(15-8-20(26)21(27-9-15)13-31(2)3)10-28-24(32)29-11-18-16-6-7-33-22(16)5-4-19(18)25/h4-5,8-9,11-12H,6-7,10,13H2,1-3H3,(H,29,30);4-5,8-10,12H,6-7,11,13H2,1-3H3,(H,28,29)
InChIKeyBBPPQTCOFGOQAF-UHFFFAOYSA-N
XLogP8.72
TPSA122.27 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.99
LogP ≤ 58.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
US11091495, Example 228
CID 152324986
2-(3-(allyloxy)phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-8-amine
CID 10141451
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(morpholinomethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11504226
US9580437, Example 57
CID 121432869
US9580437, Example 167
CID 121432883
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenyl-1-(trifluoromethyl)imidazo[1,5-c]pyrimidin-5-amine
CID 155580182
3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine
CID 145977386
N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 162655057
2-[4-[4-[4-[2-(4-Methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
CID 162662367

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 157298454) is 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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(-c3cc(F)c(CN(C)C)cc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(CN(C)C)c(F)c3)c2n1.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is BBPPQTCOFGOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O.C24H24F2N6O/c1-14-12-33-24(31-14)19(17-9-21(27)15(8-22(17)28)13-32(2)3)11-30-25(33)29-10-18-16-6-7-34-23(16)5-4-20(18)26;1-14-12-32-23(30-14)17(15-8-20(26)21(27-9-15)13-31(2)3)10-28-24(32)29-11-18-16-6-7-33-22(16)5-4-19(18)25/h4-5,8-9,11-12H,6-7,10,13H2,1-3H3,(H,29,30);4-5,8-10,12H,6-7,11,13H2,1-3H3,(H,28,29).
What are the key properties of 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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 917.99 g/mol, XLogP of 8.72, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]-2,5-difluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[6-[(dimethylamino)methyl]-5-fluoro-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 157298454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).