N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C25H23N5O2 — CID 96514685

IUPACN-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCOc1ccc([C@@H](CNc2ncccc2-c2nc(C)no2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H23N5O2/c1-16-29-25(32-30-16)20-7-5-13-26-24(20)28-14-21(17-9-11-18(31-2)12-10-17)22-15-27-23-8-4-3-6-19(22)23/h3-13,15,21,27H,14H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyWSOJCYUVXHOODL-OAQYLSRUSA-N
MW425.49 g/mol
LogP5.17
Rot. Bonds7

About N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 96514685) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID96514685
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCOc1ccc([C@@H](CNc2ncccc2-c2nc(C)no2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H23N5O2/c1-16-29-25(32-30-16)20-7-5-13-26-24(20)28-14-21(17-9-11-18(31-2)12-10-17)22-15-27-23-8-4-3-6-19(22)23/h3-13,15,21,27H,14H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyWSOJCYUVXHOODL-OAQYLSRUSA-N
XLogP5.17
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 96514685) is N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is COc1ccc([C@@H](CNc2ncccc2-c2nc(C)no2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is WSOJCYUVXHOODL-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-29-25(32-30-16)20-7-5-13-26-24(20)28-14-21(17-9-11-18(31-2)12-10-17)22-15-27-23-8-4-3-6-19(22)23/h3-13,15,21,27H,14H2,1-2H3,(H,26,28)/t21-/m1/s1.
What are the key properties of N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 425.49 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 96514685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).