2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid

C25H22F3N5O3 — CID 58349317

IUPAC2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
SMILESCN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc2c1CC(=O)O
InChIInChI=1S/C25H22F3N5O3/c1-32(2)23-19(14-21(34)35)22-29-11-12-33(22)20(31-23)13-15-3-9-18(10-4-15)30-24(36)16-5-7-17(8-6-16)25(26,27)28/h3-12H,13-14H2,1-2H3,(H,30,36)(H,34,35)
InChIKeyXZRWCLFPHQPSNJ-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.28
Rot. Bonds7

About 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid

2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid (PubChem CID 58349317) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
PubChem CID58349317
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
SMILESCN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc2c1CC(=O)O
InChIInChI=1S/C25H22F3N5O3/c1-32(2)23-19(14-21(34)35)22-29-11-12-33(22)20(31-23)13-15-3-9-18(10-4-15)30-24(36)16-5-7-17(8-6-16)25(26,27)28/h3-12H,13-14H2,1-2H3,(H,30,36)(H,34,35)
InChIKeyXZRWCLFPHQPSNJ-UHFFFAOYSA-N
XLogP4.28
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The IUPAC name of 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid (CID 58349317) is 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid.
What is the SMILES notation for 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The canonical SMILES for 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid is CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc2c1CC(=O)O.
What is the InChIKey of 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The InChIKey is XZRWCLFPHQPSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-32(2)23-19(14-21(34)35)22-29-11-12-33(22)20(31-23)13-15-3-9-18(10-4-15)30-24(36)16-5-7-17(8-6-16)25(26,27)28/h3-12H,13-14H2,1-2H3,(H,30,36)(H,34,35).
What are the key properties of 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid has a molecular weight of 497.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(dimethylamino)-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid is sourced from PubChem (CID 58349317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).