5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C28H33N7O2 — CID 58561636

IUPAC5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCc1cc(-c2nc(-c3ccc(C4(C)COC4)cc3)no2)nn1Cc1ccc(NCCN2CCCC2)nc1
InChIInChI=1S/C28H33N7O2/c1-20-15-24(27-31-26(33-37-27)22-6-8-23(9-7-22)28(2)18-36-19-28)32-35(20)17-21-5-10-25(30-16-21)29-11-14-34-12-3-4-13-34/h5-10,15-16H,3-4,11-14,17-19H2,1-2H3,(H,29,30)
InChIKeyLWSNEFWEOFSSBH-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.15
Rot. Bonds9

About 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 58561636) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID58561636
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCc1cc(-c2nc(-c3ccc(C4(C)COC4)cc3)no2)nn1Cc1ccc(NCCN2CCCC2)nc1
InChIInChI=1S/C28H33N7O2/c1-20-15-24(27-31-26(33-37-27)22-6-8-23(9-7-22)28(2)18-36-19-28)32-35(20)17-21-5-10-25(30-16-21)29-11-14-34-12-3-4-13-34/h5-10,15-16H,3-4,11-14,17-19H2,1-2H3,(H,29,30)
InChIKeyLWSNEFWEOFSSBH-UHFFFAOYSA-N
XLogP4.15
TPSA94.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-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 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 58561636) is 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is Cc1cc(-c2nc(-c3ccc(C4(C)COC4)cc3)no2)nn1Cc1ccc(NCCN2CCCC2)nc1.
What is the InChIKey of 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is LWSNEFWEOFSSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-20-15-24(27-31-26(33-37-27)22-6-8-23(9-7-22)28(2)18-36-19-28)32-35(20)17-21-5-10-25(30-16-21)29-11-14-34-12-3-4-13-34/h5-10,15-16H,3-4,11-14,17-19H2,1-2H3,(H,29,30).
What are the key properties of 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 499.62 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-3-[3-[4-(3-methyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 58561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).