2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide

C26H25F2N5O2 — CID 158497976

IUPAC2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)cc3C)c2n1
InChIInChI=1S/C26H25F2N5O2/c1-14-9-18(25(34)32(3)4)22(28)10-17(14)20-12-30-26(33-13-15(2)31-24(20)33)29-11-19-16-7-8-35-23(16)6-5-21(19)27/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,29,30)
InChIKeyIAZGOZKYEWKRQD-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.54
Rot. Bonds5

About 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide

2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide (PubChem CID 158497976) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide
PubChem CID158497976
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)cc3C)c2n1
InChIInChI=1S/C26H25F2N5O2/c1-14-9-18(25(34)32(3)4)22(28)10-17(14)20-12-30-26(33-13-15(2)31-24(20)33)29-11-19-16-7-8-35-23(16)6-5-21(19)27/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,29,30)
InChIKeyIAZGOZKYEWKRQD-UHFFFAOYSA-N
XLogP4.54
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bay-1217389
CID 78320750
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
4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902376
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-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
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
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3-methyl-3H-imidazol-4-yl)-pyridin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11248201
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11260078
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383132
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide?
The IUPAC name of 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide (CID 158497976) is 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide.
What is the SMILES notation for 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide?
The canonical SMILES for 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)cc3C)c2n1.
What is the InChIKey of 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide?
The InChIKey is IAZGOZKYEWKRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-14-9-18(25(34)32(3)4)22(28)10-17(14)20-12-30-26(33-13-15(2)31-24(20)33)29-11-19-16-7-8-35-23(16)6-5-21(19)27/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,29,30).
What are the key properties of 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide?
2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide has a molecular weight of 477.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N,5-trimethylbenzamide is sourced from PubChem (CID 158497976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).