4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C24H23N7O — CID 162355250

IUPAC4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1cc(-c2ccnn2C)ccc1Nc1nc(C2=CCCCC2)c2c(C#N)c[nH]c2n1
InChIInChI=1S/C24H23N7O/c1-31-19(10-11-27-31)16-8-9-18(20(12-16)32-2)28-24-29-22(15-6-4-3-5-7-15)21-17(13-25)14-26-23(21)30-24/h6,8-12,14H,3-5,7H2,1-2H3,(H2,26,28,29,30)
InChIKeyRAPKJUXBFJOTKD-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.94
Rot. Bonds5

About 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 162355250) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID162355250
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1cc(-c2ccnn2C)ccc1Nc1nc(C2=CCCCC2)c2c(C#N)c[nH]c2n1
InChIInChI=1S/C24H23N7O/c1-31-19(10-11-27-31)16-8-9-18(20(12-16)32-2)28-24-29-22(15-6-4-3-5-7-15)21-17(13-25)14-26-23(21)30-24/h6,8-12,14H,3-5,7H2,1-2H3,(H2,26,28,29,30)
InChIKeyRAPKJUXBFJOTKD-UHFFFAOYSA-N
XLogP4.94
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 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-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 162355250) is 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is COc1cc(-c2ccnn2C)ccc1Nc1nc(C2=CCCCC2)c2c(C#N)c[nH]c2n1.
What is the InChIKey of 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is RAPKJUXBFJOTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-31-19(10-11-27-31)16-8-9-18(20(12-16)32-2)28-24-29-22(15-6-4-3-5-7-15)21-17(13-25)14-26-23(21)30-24/h6,8-12,14H,3-5,7H2,1-2H3,(H2,26,28,29,30).
What are the key properties of 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 425.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-2-[2-methoxy-4-(2-methylpyrazol-3-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 162355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).