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

C24H26N6O2 — CID 58538617

IUPACN-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
SMILESCNc1ccc(Cn2nc(-c3nc(-c4ccc(C5CCOCC5)cc4)no3)cc2C)cn1
InChIInChI=1S/C24H26N6O2/c1-16-13-21(28-30(16)15-17-3-8-22(25-2)26-14-17)24-27-23(29-32-24)20-6-4-18(5-7-20)19-9-11-31-12-10-19/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,25,26)
InChIKeyLYXGZPYDODUMHY-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds6

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

N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine (PubChem CID 58538617) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
PubChem CID58538617
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
SMILESCNc1ccc(Cn2nc(-c3nc(-c4ccc(C5CCOCC5)cc4)no3)cc2C)cn1
InChIInChI=1S/C24H26N6O2/c1-16-13-21(28-30(16)15-17-3-8-22(25-2)26-14-17)24-27-23(29-32-24)20-6-4-18(5-7-20)19-9-11-31-12-10-19/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,25,26)
InChIKeyLYXGZPYDODUMHY-UHFFFAOYSA-N
XLogP4.29
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine (CID 58538617) is N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine is CNc1ccc(Cn2nc(-c3nc(-c4ccc(C5CCOCC5)cc4)no3)cc2C)cn1.
What is the InChIKey of N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?
The InChIKey is LYXGZPYDODUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-13-21(28-30(16)15-17-3-8-22(25-2)26-14-17)24-27-23(29-32-24)20-6-4-18(5-7-20)19-9-11-31-12-10-19/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,25,26).
What are the key properties of N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine?
N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine has a molecular weight of 430.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[5-methyl-3-[3-[4-(oxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 58538617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).