4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile

C22H19N5O2 — CID 74539034

IUPAC4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile
SMILESCOc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H19N5O2/c1-14-10-16(13-23)11-15(2)22(14)29-21-12-19(26-20-8-9-24-27(20)21)25-17-4-6-18(28-3)7-5-17/h4-12H,1-3H3,(H,25,26)
InChIKeyYXLLVZNNNCCREE-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.76
Rot. Bonds5

About 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile

4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile (PubChem CID 74539034) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile
PubChem CID74539034
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile
SMILESCOc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H19N5O2/c1-14-10-16(13-23)11-15(2)22(14)29-21-12-19(26-20-8-9-24-27(20)21)25-17-4-6-18(28-3)7-5-17/h4-12H,1-3H3,(H,25,26)
InChIKeyYXLLVZNNNCCREE-UHFFFAOYSA-N
XLogP4.76
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile 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-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile (CID 74539034) is 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile is COc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1.
What is the InChIKey of 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile?
The InChIKey is YXLLVZNNNCCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-10-16(13-23)11-15(2)22(14)29-21-12-19(26-20-8-9-24-27(20)21)25-17-4-6-18(28-3)7-5-17/h4-12H,1-3H3,(H,25,26).
What are the key properties of 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile?
4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile has a molecular weight of 385.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxy-3,5-dimethylbenzonitrile is sourced from PubChem (CID 74539034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).