7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine

C29H29N5 — CID 127047203

IUPAC7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc(C)n(-c2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3C2CCCCC2)n1
InChIInChI=1S/C29H29N5/c1-20-18-21(2)34(32-20)29-26-25(22-12-6-3-7-13-22)27(23-14-8-4-9-15-23)33(28(26)30-19-31-29)24-16-10-5-11-17-24/h3-4,6-9,12-15,18-19,24H,5,10-11,16-17H2,1-2H3
InChIKeyHTSZCEXUZZTFMX-UHFFFAOYSA-N
MW447.59 g/mol
LogP7.07
Rot. Bonds4

About 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine

7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine (PubChem CID 127047203) has the molecular formula C29H29N5 and a molecular weight of 447.59 g/mol. Its IUPAC name is 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine
PubChem CID127047203
Molecular FormulaC29H29N5
Molecular Weight447.59 g/mol
Exact Mass447.24
IUPAC Name7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc(C)n(-c2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3C2CCCCC2)n1
InChIInChI=1S/C29H29N5/c1-20-18-21(2)34(32-20)29-26-25(22-12-6-3-7-13-22)27(23-14-8-4-9-15-23)33(28(26)30-19-31-29)24-16-10-5-11-17-24/h3-4,6-9,12-15,18-19,24H,5,10-11,16-17H2,1-2H3
InChIKeyHTSZCEXUZZTFMX-UHFFFAOYSA-N
XLogP7.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[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 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine (CID 127047203) is 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine is Cc1cc(C)n(-c2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3C2CCCCC2)n1.
What is the InChIKey of 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is HTSZCEXUZZTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5/c1-20-18-21(2)34(32-20)29-26-25(22-12-6-3-7-13-22)27(23-14-8-4-9-15-23)33(28(26)30-19-31-29)24-16-10-5-11-17-24/h3-4,6-9,12-15,18-19,24H,5,10-11,16-17H2,1-2H3.
What are the key properties of 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine?
7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 447.59 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)-5,6-diphenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 127047203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).