N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

C25H22F3N5O2 — CID 90442618

IUPACN-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2nccn2c(N2CCOCC2)n1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22-29-7-8-33(22)24(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
InChIKeyCDBQKPKEEIZUOR-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.81
Rot. Bonds4

About N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90442618) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90442618
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC NameN-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2nccn2c(N2CCOCC2)n1
InChIInChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22-29-7-8-33(22)24(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
InChIKeyCDBQKPKEEIZUOR-UHFFFAOYSA-N
XLogP4.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 90442618) is N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2nccn2c(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CDBQKPKEEIZUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22-29-7-8-33(22)24(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34).
What are the key properties of N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 481.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-morpholin-4-ylimidazo[1,2-c]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90442618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).