(5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C20H22BrClF3N5O2 — CID 136783579

IUPAC(5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc2n(c1Cl)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2
InChIInChI=1S/C20H22BrClF3N5O2/c21-13-3-1-12(2-4-13)14-11-15(20(23,24)25)30-17(22)16(28-19(30)27-14)18(31)26-5-6-29-7-9-32-10-8-29/h1-4,14-15H,5-11H2,(H,26,31)(H,27,28)/t14-,15-/m1/s1
InChIKeyRDWKACQCFWPBPV-HUUCEWRRSA-N
MW536.78 g/mol
LogP4.02
Rot. Bonds5

About (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

(5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136783579) has the molecular formula C20H22BrClF3N5O2 and a molecular weight of 536.78 g/mol. Its IUPAC name is (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136783579
Molecular FormulaC20H22BrClF3N5O2
Molecular Weight536.78 g/mol
Exact Mass535.06
IUPAC Name(5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc2n(c1Cl)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2
InChIInChI=1S/C20H22BrClF3N5O2/c21-13-3-1-12(2-4-13)14-11-15(20(23,24)25)30-17(22)16(28-19(30)27-14)18(31)26-5-6-29-7-9-32-10-8-29/h1-4,14-15H,5-11H2,(H,26,31)(H,27,28)/t14-,15-/m1/s1
InChIKeyRDWKACQCFWPBPV-HUUCEWRRSA-N
XLogP4.02
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

(5R,7S)-5-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136823753
3-chloro-5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133980
(5S,7S)-5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1496689
(5S,7R)-5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038286
(5S,7S)-5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135890364
(7S)-N-(2-morpholin-4-ylethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137203662
(5R,7R)-5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1368676
[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 3133888
(5S,7R)-3-chloro-N-(2-morpholin-4-ylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135877788
(5S,7R)-5-(4-bromophenyl)-3-chloro-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2166719
[(5S,7S)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 1042191
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 177227551

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136783579) is (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCCN1CCOCC1)c1nc2n(c1Cl)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2.
What is the InChIKey of (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is RDWKACQCFWPBPV-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H22BrClF3N5O2/c21-13-3-1-12(2-4-13)14-11-15(20(23,24)25)30-17(22)16(28-19(30)27-14)18(31)26-5-6-29-7-9-32-10-8-29/h1-4,14-15H,5-11H2,(H,26,31)(H,27,28)/t14-,15-/m1/s1.
What are the key properties of (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
(5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 536.78 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136783579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).