2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C21H22N8O2 — CID 68815931

IUPAC2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOc1ncccc1-c1cc(C2CCCN2c2nccc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C21H22N8O2/c1-13-11-19(27-26-13)24-18-7-9-23-21(25-18)29-10-4-6-16(29)17-12-15(28-31-17)14-5-3-8-22-20(14)30-2/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyBGTFNBLKEPCSGR-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.65
Rot. Bonds6

About 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 68815931) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID68815931
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOc1ncccc1-c1cc(C2CCCN2c2nccc(Nc3cc(C)[nH]n3)n2)on1
InChIInChI=1S/C21H22N8O2/c1-13-11-19(27-26-13)24-18-7-9-23-21(25-18)29-10-4-6-16(29)17-12-15(28-31-17)14-5-3-8-22-20(14)30-2/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyBGTFNBLKEPCSGR-UHFFFAOYSA-N
XLogP3.65
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine 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 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 68815931) is 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is COc1ncccc1-c1cc(C2CCCN2c2nccc(Nc3cc(C)[nH]n3)n2)on1.
What is the InChIKey of 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is BGTFNBLKEPCSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-13-11-19(27-26-13)24-18-7-9-23-21(25-18)29-10-4-6-16(29)17-12-15(28-31-17)14-5-3-8-22-20(14)30-2/h3,5,7-9,11-12,16H,4,6,10H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 418.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 68815931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).