2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H19N5O3 — CID 16742952

IUPAC2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1cc(Nc2[nH]n3c(=O)cc(C(C)C)nc3c2C#N)cc(OC)c1
InChIInChI=1S/C18H19N5O3/c1-10(2)15-8-16(24)23-18(21-15)14(9-19)17(22-23)20-11-5-12(25-3)7-13(6-11)26-4/h5-8,10,20,22H,1-4H3
InChIKeyLEDZFWWHCJQGES-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.78
Rot. Bonds5

About 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 16742952) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID16742952
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1cc(Nc2[nH]n3c(=O)cc(C(C)C)nc3c2C#N)cc(OC)c1
InChIInChI=1S/C18H19N5O3/c1-10(2)15-8-16(24)23-18(21-15)14(9-19)17(22-23)20-11-5-12(25-3)7-13(6-11)26-4/h5-8,10,20,22H,1-4H3
InChIKeyLEDZFWWHCJQGES-UHFFFAOYSA-N
XLogP2.78
TPSA104.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 16674607
5-amino-3-(3,5-dimethoxyanilino)-1H-pyrazole-4-carbonitrile
CID 16742947
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
5-(3,5-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375201
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
4-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carbonitrile
CID 152699716
2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58662275
2-(3,5-dimethoxyanilino)-5-methyl-7-[2-(methylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 16743813
2-methyl-3-naphthalen-1-yl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 870375
4-(4-methoxyphenyl)-6-oxo-2-(4-propan-2-ylanilino)-1H-pyrimidine-5-carbonitrile
CID 135682176

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 16742952) is 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1cc(Nc2[nH]n3c(=O)cc(C(C)C)nc3c2C#N)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LEDZFWWHCJQGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10(2)15-8-16(24)23-18(21-15)14(9-19)17(22-23)20-11-5-12(25-3)7-13(6-11)26-4/h5-8,10,20,22H,1-4H3.
What are the key properties of 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-7-oxo-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 16742952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).