5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

C19H19N7O — CID 66555073

IUPAC5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCC1CCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1
InChIInChI=1S/C19H19N7O/c1-11-3-2-8-26(11)16-6-7-21-17(23-16)14-10-22-15-5-4-12(9-13(14)15)18-24-25-19(20)27-18/h4-7,9-11,22H,2-3,8H2,1H3,(H2,20,25)
InChIKeyWSBXTXMVHFPAPA-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.25
Rot. Bonds3

About 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 66555073) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID66555073
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCC1CCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1
InChIInChI=1S/C19H19N7O/c1-11-3-2-8-26(11)16-6-7-21-17(23-16)14-10-22-15-5-4-12(9-13(14)15)18-24-25-19(20)27-18/h4-7,9-11,22H,2-3,8H2,1H3,(H2,20,25)
InChIKeyWSBXTXMVHFPAPA-UHFFFAOYSA-N
XLogP3.25
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine (CID 66555073) is 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is CC1CCCN1c1ccnc(-c2c[nH]c3ccc(-c4nnc(N)o4)cc23)n1.
What is the InChIKey of 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WSBXTXMVHFPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-11-3-2-8-26(11)16-6-7-21-17(23-16)14-10-22-15-5-4-12(9-13(14)15)18-24-25-19(20)27-18/h4-7,9-11,22H,2-3,8H2,1H3,(H2,20,25).
What are the key properties of 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-methylpyrrolidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 66555073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).