4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine

C30H29N5O — CID 3632628

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCOc1cccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C30H29N5O/c1-22-11-13-24(14-12-22)35-20-27(23-7-4-3-5-8-23)28-29(31-21-32-30(28)35)34-17-15-33(16-18-34)25-9-6-10-26(19-25)36-2/h3-14,19-21H,15-18H2,1-2H3
InChIKeyKUXUNMWCOMSZEN-UHFFFAOYSA-N
MW475.60 g/mol
LogP5.73
Rot. Bonds5

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine

4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 3632628) has the molecular formula C30H29N5O and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID3632628
Molecular FormulaC30H29N5O
Molecular Weight475.60 g/mol
Exact Mass475.24
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
SMILESCOc1cccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C30H29N5O/c1-22-11-13-24(14-12-22)35-20-27(23-7-4-3-5-8-23)28-29(31-21-32-30(28)35)34-17-15-33(16-18-34)25-9-6-10-26(19-25)36-2/h3-14,19-21H,15-18H2,1-2H3
InChIKeyKUXUNMWCOMSZEN-UHFFFAOYSA-N
XLogP5.73
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine (CID 3632628) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine is COc1cccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is KUXUNMWCOMSZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O/c1-22-11-13-24(14-12-22)35-20-27(23-7-4-3-5-8-23)28-29(31-21-32-30(28)35)34-17-15-33(16-18-34)25-9-6-10-26(19-25)36-2/h3-14,19-21H,15-18H2,1-2H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 475.60 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 3632628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).