7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine

C24H24ClN5 — CID 50749565

IUPAC7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1
InChIInChI=1S/C24H24ClN5/c1-2-28-12-14-29(15-13-28)23-22-19(18-8-4-3-5-9-18)16-30(24(22)27-17-26-23)21-11-7-6-10-20(21)25/h3-11,16-17H,2,12-15H2,1H3
InChIKeyIOMKGLRSGFVNEK-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.88
Rot. Bonds4

About 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine

7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 50749565) has the molecular formula C24H24ClN5 and a molecular weight of 417.94 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID50749565
Molecular FormulaC24H24ClN5
Molecular Weight417.94 g/mol
Exact Mass417.17
IUPAC Name7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1
InChIInChI=1S/C24H24ClN5/c1-2-28-12-14-29(15-13-28)23-22-19(18-8-4-3-5-9-18)16-30(24(22)27-17-26-23)21-11-7-6-10-20(21)25/h3-11,16-17H,2,12-15H2,1H3
InChIKeyIOMKGLRSGFVNEK-UHFFFAOYSA-N
XLogP4.88
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-chloro-4-methylphenyl)-4-[4-(2-chlorophenyl)piperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4086108
4-(4-ethylpiperazin-1-yl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3521644
1-[7-(2-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 44616280
(E)-1-[4-[7-(2-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 16646991
7-(2-chlorophenyl)-N,N-dimethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50749561
(E)-1-[4-[7-(2-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 16646994
7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
CID 1069978
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine
CID 4629918
(2-chlorophenyl)-[4-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 16646877
ethyl 4-[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 3323037
2-[4-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 3467524
2-(2-methoxyphenoxy)-1-[4-[7-(2-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 16647150

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine (CID 50749565) is 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine is CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1.
What is the InChIKey of 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is IOMKGLRSGFVNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5/c1-2-28-12-14-29(15-13-28)23-22-19(18-8-4-3-5-9-18)16-30(24(22)27-17-26-23)21-11-7-6-10-20(21)25/h3-11,16-17H,2,12-15H2,1H3.
What are the key properties of 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine?
7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 417.94 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 50749565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).