2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone

C22H16ClN3O2 — CID 170860072

IUPAC2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
SMILESNCC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccccc3Cl)cc12
InChIInChI=1S/C22H16ClN3O2/c23-17-9-5-4-8-15(17)18-11-19-16(21(27)12-24)10-20(26(19)13-25-18)22(28)14-6-2-1-3-7-14/h1-11,13H,12,24H2
InChIKeyCTZYEYMSSNFATA-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.03
Rot. Bonds5

About 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone

2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone (PubChem CID 170860072) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
PubChem CID170860072
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
SMILESNCC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccccc3Cl)cc12
InChIInChI=1S/C22H16ClN3O2/c23-17-9-5-4-8-15(17)18-11-19-16(21(27)12-24)10-20(26(19)13-25-18)22(28)14-6-2-1-3-7-14/h1-11,13H,12,24H2
InChIKeyCTZYEYMSSNFATA-UHFFFAOYSA-N
XLogP4.03
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone
CID 170860077
(5-benzoyl-3-phenylpyrrolo[1,2-c]pyrimidin-7-yl)-(4-phenylphenyl)methanone
CID 4662902
ethyl 7-benzoyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3424246
ethyl 7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 5162517
ethyl 7-benzoyl-3-(4-hydroxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3461787
ethyl 7-benzoyl-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 12018432
2-amino-1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
CID 170860103
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564
3-benzoylindolizine-1-carboxylic acid
CID 71356515
(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
[2-(2-chlorophenyl)-4-pyridinyl]methanamine
CID 83706166

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone?
The IUPAC name of 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone (CID 170860072) is 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone?
The canonical SMILES for 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone is NCC(=O)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccccc3Cl)cc12.
What is the InChIKey of 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone?
The InChIKey is CTZYEYMSSNFATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-17-9-5-4-8-15(17)18-11-19-16(21(27)12-24)10-20(26(19)13-25-18)22(28)14-6-2-1-3-7-14/h1-11,13H,12,24H2.
What are the key properties of 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone?
2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone has a molecular weight of 389.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[7-benzoyl-3-(2-chlorophenyl)pyrrolo[1,2-c]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 170860072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).